SCHEMBL6340288

SCHEMBL6340288

COC(=O)c1c(Br)ccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NOTUM Q6P988 1/20 0.39
SOS1 Q07889 1/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL30179129 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL20639296 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3518044 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL20638961 0.84 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL14956284 0.84 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL31383922 0.84 CES2 (0.38) CA1CA2CA9TSHRLMNA
SCHEMBL6120238 0.82 SOS1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1495241 0.82 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL18797706 0.82 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL26615118 0.81 NOTUM (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098683-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2026-05-15 WO disclosed
EP-4735445-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
EP-4735453-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
EP-4695260-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-02-18 EP disclosed
EP-4511127-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-02-26 EP disclosed
US-20250059208-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-02-20 US disclosed
CN-119487038-A KRAS G12D modulating compounds 吉利德科学公司 2025-02-18 CN disclosed
US-20250042922-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
WO-2025006704-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-01-02 WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2017-08-10 US disclosed
EP-3180332-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS Eolas Therapeutics Inc. (US) 2017-06-21 EP disclosed
US-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
WO-2016025669-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 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 (5 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-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 CA12 2934/4885CA1 1790/4885CA2 3006/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 CA12 4110/4885CA1 2285/4885CA2 1005/4885
US-20250042922-A1 KRAS MODULATING COMPOUNDS KRAS, NRAS, HRAS CA12 4277/4885CA1 4442/4885CA2 3003/4885
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, OPRD1, HCRTR1 CA12 2537/4885CA1 1594/4885CA2 500/4885
US-20250059208-A1 KRAS MODULATING COMPOUNDS KRAS, NRAS, HRAS CA12 4277/4885CA1 4442/4885CA2 3003/4885

“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.