SCHEMBL6715058

SCHEMBL6715058

Cc1ccc(S(=O)(=O)N(CCc2ccc(-n3c(-c4ccccn4)nc4cc(C(F)(F)F)c(Cl)cc43)cc2)C(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 5/20 0.35
KCNH2 Q12809 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TRPM8 Q7Z2W7 4/20 0.34
OPRK1 P41145 2/20 0.34
METAP1 P53582 1/20 0.34
PTGS2 P35354 1/20 0.33
CXCR3 P49682 1/20 0.33
NR3C2 P08235 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL1624796 0.97 NPC1 (0.39) NPC1RAB9AHRH3KCNH2CA12
SCHEMBL7258492 0.88 CNR2 (0.33) TRPM8CNR2
SCHEMBL7263143 0.88 ALDH1A1 (0.34) TRPM8CXCR3
SCHEMBL6714655 0.88 PTGER4 (0.38) TRPM8CNR1CNR2
SCHEMBL6710720 0.87 PTGER4 (0.39) TRPM8CNR1CNR2
SCHEMBL1624205 0.86 TRPM8 (0.36) TRPM8PTGS2CNR1CNR2
SCHEMBL1625490 0.85 TRPM8 (0.32) TRPM8CNR2
SCHEMBL1626078 0.85 PTGER4 (0.34) TRPM8CNR2
SCHEMBL1625476 0.85 RHEB (0.38) KCNH2TRPM8CNR2
SCHEMBL1624210 0.85 CNR2 (0.34) CA12CA9TRPM8CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 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 (3 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-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 NPC1 1338/4885RAB9A 3196/4885HRH3 824/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 NPC1 280/4885RAB9A 2765/4885HRH3 376/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 NPC1 4395/4885RAB9A 3170/4885HRH3 281/4885

“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.