SCHEMBL971099

SCHEMBL971099

NS(=O)(=O)[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.46
CA1 P00915 8/20 0.46
CA9 Q16790 6/20 0.46
CA12 O43570 3/20 0.46
CA5A P35218 3/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
PLA2G7 Q13093 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 1/20 0.43
PTGS2 P35354 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 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
SCHEMBL359805 0.75 PPARG (0.53) PTGS2KMT2APTGS1LMNAPTGES2
SCHEMBL1205879 0.75 PPARG (0.53) PTGS2KMT2APTGS1LMNAPTGES2
SCHEMBL332246 0.74 TSHR (0.46) ALDH1A1CYP2A6MEN1MAPTKMT2A
SCHEMBL525688 0.74 ALDH1A1 (0.43) ALDH1A1CYP2A6PTGS2MAPTSMN1; SMN2
Styrene SCHEMBL9453760 0.73 ALDH1A1 (0.64) CA2CA1CA9CA12CA5A
SCHEMBL29026002 0.73 PPARG (0.52) PTGS2KMT2APTGS1LMNAPTGES2
SCHEMBL5766149 0.73 PPARG (0.52) PTGS2KMT2APTGS1LMNAPTGES2
SCHEMBL29175487 0.73 PPARG (0.52) PTGS2KMT2APTGS1LMNAPTGES2
SCHEMBL5766143 0.73 PPARG (0.52) PTGS2KMT2APTGS1LMNAPTGES2
SCHEMBL5122481 0.72 TLR9 (0.56) CA2CA1CA9CA12CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2676955-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-03-11 EP disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
WO-1997016446-A1 BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 WO disclosed
WO-1997011945-A1 DIAZABICYCLOOCTANE DERIVATIVES HAVING SELECTIVE 5-HT1DALPHA ANTAGONIST ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1996016056-A1 PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-05-30 WO disclosed
CN-1116847-A N- (3-piperidinylcarbonyl) -beta-aminopropionic acid derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-14 CN disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed
US-4845088-A ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1989-07-04 US disclosed
US-4699904-A ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1987-10-13 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 (1 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-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.