SCHEMBL246163

SCHEMBL246163

COc1cc(Cl)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(NS(N)(=O)=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 4/20 0.47
POLB P06746 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADH5 P11766 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
F2 P00734 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CPT1A P50416 2/20 0.37
CPT1B Q92523 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PTGER1 P34995 1/20 0.35
MDM2 Q00987 1/20 0.35
NLRP3 Q96P20 1/20 0.35
MME P08473 1/20 0.35

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
SCHEMBL244678 0.92 MAPT (0.50) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL248621 0.87 MAPT (0.54) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL245643 0.87 MAPT (0.52) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL244331 0.83 MAPT (0.53) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL242304 0.81 MAPT (0.59) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL246988 0.80 MAPT (0.45) MAPTTP53POLBMEN1KMT2A
SCHEMBL240962 0.78 POLB (0.50) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL18124146 0.76 MAPT (0.48) MAPTTP53POLBSMN1; SMN2ADH5
SCHEMBL247072 0.76 MAPT (0.58) MAPTTP53POLBMEN1KMT2A
SCHEMBL27843485 0.75 MAPT (0.47) MAPTTP53POLBSMN1; SMN2ADH5

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 19 patents. 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
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 MAPT 1746/4885TP53 1844/4885POLB 3260/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885TP53 2292/4885POLB 1032/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885TP53 2292/4885POLB 1032/4885

“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.