SCHEMBL242401

SCHEMBL242401

COc1ccc(-c2ccc(CCC(=O)O)n2-c2c(C)cc(C(N)=O)cc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
MAPT P10636 11/20 0.61
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 9/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
TP53 P04637 3/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
F2 P00734 1/20 0.59
ATM Q13315 1/20 0.59
GAA P10253 4/20 0.56
HPGD P15428 3/20 0.56
GLA P06280 1/20 0.56
ALOX15 P16050 3/20 0.56
HSD17B10 Q99714 3/20 0.56
CASP1 P29466 2/20 0.56
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.55

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
SCHEMBL242209 0.89 ADH5 (0.67) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL248236 0.82 PTGS1 (0.59) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL242630 0.81 MAPT (0.60) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL247966 0.81 MAPT (0.64) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL245620 0.81 MAPT (0.60) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL244757 0.81 MAPT (0.69) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL27843486 0.81 MAPT (0.59) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL245644 0.80 PTGS1 (0.61) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL242916 0.80 MAPT (0.73) PTGS1PTGS2MAPTKDM4EALDH1A1
SCHEMBL243336 0.79 MAPT (0.72) PTGS1PTGS2MAPTKDM4EALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
JP-2012500216-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
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
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
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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 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-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
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
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

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

For each of this compound's patents that has machine-readable text (3 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 PTGS1 6/4885PTGS2 7/4885MAPT 1746/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR PTGS1 120/4885PTGS2 186/4885MAPT 3482/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR PTGS1 120/4885PTGS2 186/4885MAPT 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.