SCHEMBL6715015

SCHEMBL6715015

CC(=O)NC(C)(C)c1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCN(C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.33

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 12)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 1/20 0.30
MAPT P10636 1/20 0.33
TRPM8 Q7Z2W7 4/20 0.33
PTGER4 P35408 1/20 0.31
GNRHR P30968 1/20 0.31
CNR2 P34972 1/20 0.31
NTSR1 P30989 1/20 0.30
MC4R P32245 1/20 0.30
PAX8 Q06710 1/20 0.30
AURKB Q96GD4 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL1625175 0.97 MAPT (0.35) MAPTTRPM8PTGER4GNRHRCNR2
SCHEMBL6710720 0.87 PTGER4 (0.39) MAPTTRPM8PTGER4GNRHRCNR2
SCHEMBL6714655 0.85 PTGER4 (0.38) TRPM8PTGER4GNRHRCNR2
SCHEMBL6713167 0.84 PTGER4 (0.41) MAPTTRPM8PTGER4GNRHRCNR2
SCHEMBL7258492 0.84 CNR2 (0.33) MAPTTRPM8CNR2NTSR1MC4R
SCHEMBL6715058 0.84 NPC1 (0.37) TRPM8CNR2
SCHEMBL1623250 0.83 PTGER4 (0.41) MAPTTRPM8PTGER4GNRHRCNR2
SCHEMBL1626078 0.81 PTGER4 (0.34) MAPTTRPM8PTGER4CNR2HCRTR1
SCHEMBL1625476 0.81 RHEB (0.38) MAPTTRPM8CNR2
SCHEMBL21470115 0.81 AGTR2 (0.37) MAPTPTGER4GNRHR

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDR 2614/4885MAPT 4402/4885TRPM8 2254/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 KDR 4402/4885MAPT 3288/4885TRPM8 377/4885

“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.