SCHEMBL971098

SCHEMBL971098

[CH2]c1ccccc1S(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.56
CA1 P00915 11/20 0.56
CA9 Q16790 11/20 0.56
CA12 O43570 6/20 0.56
CA6 P23280 4/20 0.56
CA5A P35218 4/20 0.56
CA7 P43166 4/20 0.56
CA4 P22748 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
CA14 Q9ULX7 2/20 0.56
CYP2C9 P11712 1/20 0.56
CA3 P07451 1/20 0.44
PLA2G7 Q13093 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
LDHA P00338 1/20 0.43
CDK2 P24941 1/20 0.43
PLCG1 P19174 1/20 0.41
GAA P10253 1/20 0.41
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
SCHEMBL202947 0.81 CA2 (0.70) CA2CA1CA9CA12CA6
SCHEMBL10749655 0.78 CA2 (0.67) CA2CA1CA9CA12CA6
SCHEMBL10750170 0.78 CA2 (0.67) CA2CA1CA9CA12CA6
SCHEMBL10750176 0.78 CA2 (0.67) CA2CA1CA9CA12CA6
SCHEMBL1806991 0.75 CA2 (0.56) CA2CA1CA9CA12CA6
SCHEMBL95810 0.75 BCAT2 (0.40) CA2CA1CA9CA12CA6
SCHEMBL332245 0.75 TSHR (0.44) CA2CA1CA9CA12CA6
SCHEMBL1080972 0.74 CA2 (0.61) CA2CA1CA9CA12CA6
SCHEMBL344271 0.72 CA2 (1.00) CA2CA1CA9CA12CA6
SCHEMBL1808913 0.72 CA2 (0.58) CA2CA1CA9CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
EP-0257787-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BENZENE-SULFONAMIDE DERIVATES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-04-17 EP claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
EP-2968237-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2016-01-20 EP disclosed
EP-2968220-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION Agenebio, Inc. (US) 2016-01-20 EP disclosed
EP-2968257-A1 METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2016-01-20 EP disclosed
EP-2919788-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2015-09-23 EP disclosed
US-4931581-A CHEMICAL INTERMEDIATES FOR 1,2,3-BENZOTHIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 US disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 US disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP 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 (2 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC CA2 4731/4885CA1 4838/4885CA9 3755/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CA2 1456/4885CA1 631/4885CA9 2096/4885

“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.