SCHEMBL294120

SCHEMBL294120

C[CH]c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
NFE2L2 Q16236 5/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
NPC1 O15118 1/20 0.32
CHRM5 P08912 1/20 0.32
GRM5 P41594 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL27827613 0.82 PTGS1 (0.33) PTGS1PTGS2NFE2L2
SCHEMBL3981283 0.82 CYP19A1 (0.33) PTGS1PTGS2NFE2L2
SCHEMBL16618475 0.82 RAPGEF4 (0.36) PTGS1PTGS2NFE2L2RAPGEF4
SCHEMBL6982736 0.77 PTGS1 (0.52) PTGS1PTGS2CA12CA1CA9
SCHEMBL5251881 0.73 PTGS1 (0.42) PTGS1PTGS2CA12CA1CA9
SCHEMBL1547507 0.73 TUBB1 (0.42) NFE2L2CES2CES1RAPGEF4
SCHEMBL1043979 0.73
SCHEMBL16863189 0.71 PTGS1 (0.41) PTGS1PTGS2CA12CA1CA9
SCHEMBL25401622 0.71
SCHEMBL294823 0.71 PTGS1 (0.41) PTGS1PTGS2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299813-B1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-12-16 EP claimed
US-8377955-B2 Branched 3- and 6-substituted quinolines as CGRP receptors antagonists Merck, Sharp & Dohme, Corp. (US) 2013-02-19 US claimed
US-20110105549-A1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US claimed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US claimed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US claimed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP claimed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO claimed
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-06-04 US disclosed
WO-2023246009-A1 OLEFIN POLYMERIZATION METALLOCENE CATALYST COMPOSITION, PREPARATION THEREOF AND USE THEREOF 中国石油天然气股份有限公司 2023-12-28 WO disclosed
WO-2023240961-A1 ETHYLENE-PROPYLENE COPOLYMERIZATION CATALYST COMPOSITION, AND PREPARATION AND USE THEREOF 中国石油天然气股份有限公司 2023-12-21 WO disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 CN disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 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 (8 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-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 PTGS1 2077/4885PTGS2 2933/4885CA12 4099/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD PTGS1 4124/4885PTGS2 4394/4885CA12 4846/4885
US-20110105549-A1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS GALR3, BDKRB2, CCKBR PTGS1 583/4885PTGS2 716/4885CA12 4324/4885
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 PTGS1 2077/4885PTGS2 2933/4885CA12 4099/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 PTGS1 2212/4885PTGS2 1759/4885CA12 3817/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 PTGS1 2077/4885PTGS2 2933/4885CA12 4099/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 PTGS1 2077/4885PTGS2 2933/4885CA12 4099/4885
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PTGS1 1052/4885PTGS2 1097/4885CA12 4734/4885

“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.