SCHEMBL244568

SCHEMBL244568

Cc1cc(F)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(C(N)=O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.57
ADH5 P11766 1/20 0.57
MAPT P10636 5/20 0.48
ALDH1A1 P00352 8/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 6/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 6/20 0.40
PKM P14618 3/20 0.40
NPC1 O15118 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 5/20 0.39
ALOX15 P16050 4/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL240974 0.93 ADH5 (0.56) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL244889 0.89 ADH5 (0.53) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL243981 0.88 ADH5 (0.53) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL247654 0.88 CYP2C19 (0.69) CYP2C19ADH5MAPTALDH1A1POLB
SCHEMBL243904 0.86 ADH5 (0.55) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL244020 0.85 MAPT (0.55) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL247761 0.83 MAPT (0.56) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL240737 0.83 MAPT (0.56) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL242840 0.83 ADH5 (0.56) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL244176 0.83 ADH5 (0.74) CYP2C19ADH5MAPTALDH1A1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US claimed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US claimed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 US claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
EP-3069721-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS Nivalis Therapeutics, Inc. (US) 2016-09-21 EP claimed
US-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2016-02-18 US claimed
US-9180119-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-11-10 US claimed
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2015-05-07 US claimed
US-8957105-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2015-02-17 US claimed
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-06-05 US claimed
US-8673961-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-03-18 US claimed
JP-2012500216-A 2012-01-05 JP claimed
JP-2012500219-A 2012-01-05 JP claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
EP-2315591-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-04 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
WO-2010019910-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US disclosed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
EP-3069721-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS Nivalis Therapeutics, Inc. (US) 2016-09-21 EP disclosed
EP-3069721-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS Nivalis Therapeutics, Inc. (US) 2016-09-21 EP disclosed
EP-2315591-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-03-16 EP disclosed
EP-2315591-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-03-16 EP disclosed
US-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2016-02-18 US disclosed
US-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2016-02-18 US disclosed
US-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2016-02-18 US disclosed
US-9180119-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9180119-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9180119-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2015-05-07 US disclosed
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2015-05-07 US disclosed
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2015-05-07 US disclosed
US-8957105-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957105-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957105-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-06-05 US disclosed
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-06-05 US disclosed
US-20140135396-A1 Treatment of Acetaminophen-Induced Liver Damage by the Administration of Modulators of Nitric Oxide BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-05-15 US disclosed
US-20140113945-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents for Liver Toxicity N30 PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-20140113945-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents for Liver Toxicity N30 PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-20140113945-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents for Liver Toxicity N30 PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8673961-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8673961-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8673961-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
WO-2013006658-A1 TREATMENT OF ACETAMINOPHEN-INDUCED LIVER DAMAGE BY THE ADMINISTRATION OF MODULATORS OF NITRIC OXIDE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-01-10 WO disclosed
WO-2013006635-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS FOR LIVER TOXICITY N30 PHARMACEUTICALS, LLC (US) 2013-01-10 WO disclosed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140135396-A1 Treatment of Acetaminophen-Induced Liver Damage by the Administration of Modulators of Nitric Oxide OAT, NOS2, NOS3 CYP2C19 116/4885ADH5 172/4885MAPT 1746/4885
US-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20140113945-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents for Liver Toxicity GLS2, DHFR, GGT1 CYP2C19 819/4885ADH5 20/4885MAPT 3654/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.