SCHEMBL89122

SCHEMBL89122

O=S1(=O)C=Cc2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
STAT3 P40763 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
USP7 Q93009 1/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL88782 0.83 CA9 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL31003510 0.69 CA9 (0.46) CA1CA2CA9MEN1NPC1
SCHEMBL62430 0.69 CA9 (0.46) CA1CA2CA9MEN1NPC1
SCHEMBL7133253 0.68 CYP1A2 (0.46) CA1CA2CA9MEN1NPC1
SCHEMBL7560150 0.67
SCHEMBL17292531 0.66 DAO (0.31)
SCHEMBL17292502 0.66 CSNK1D (0.31) CA9CA12
SCHEMBL25351599 0.64 CA1 (0.39) CA1CA2CA9MEN1NPC1
SCHEMBL21157146 0.64 GPR3 (0.44) MEN1KMT2A
SCHEMBL30648691 0.63 SIGMAR1 (0.35)

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-4540230-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-04-23 EP disclosed
WO-2023244710-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
WO-2023138589-A1 FIVE-MEMBERED HETEROCYCLIC PYRIMIDINE DERIVATIVE AND USE THEREOF AS INHIBITOR OF PAN-KRAS MUTATION 思路迪生物医药(上海)有限公司 2023-07-27 WO disclosed
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090281161-A1 Organic Compounds MAIBAUM JUERGEN KLAUS 2009-11-12 US disclosed
US-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (12 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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP CA1 1431/4885CA2 2940/4885CA9 2619/4885
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD CA1 2395/4885CA2 1331/4885CA9 1069/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE CA1 2086/4885CA2 905/4885CA9 1046/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CA1 2109/4885CA2 568/4885CA9 639/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA1 2037/4885CA2 562/4885CA9 630/4885
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 CA1 2773/4885CA2 1032/4885CA9 2710/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 CA1 2773/4885CA2 1032/4885CA9 2710/4885
US-20090281161-A1 Organic Compounds REN, ACE, OTC CA1 1342/4885CA2 524/4885CA9 265/4885
US-20090270417-A1 Organic Compounds REN, ACE, OTC CA1 1342/4885CA2 524/4885CA9 265/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC CA1 1761/4885CA2 494/4885CA9 611/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO CA1 1646/4885CA2 418/4885CA9 501/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO CA1 2637/4885CA2 1064/4885CA9 1119/4885

“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.