SCHEMBL6337114

SCHEMBL6337114

CCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2Cl)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.51

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 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
CA1 P00915 6/20 0.51
CA9 Q16790 5/20 0.51
CA12 O43570 4/20 0.51
PTGER4 P35408 4/20 0.49
CA4 P22748 3/20 0.39
CA7 P43166 2/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4454389 0.92 CA12 (0.54) CA2CA1CA9CA12PTGER4
SCHEMBL6332228 0.92 PTGER4 (0.55) CA2CA1CA9CA12PTGER4
SCHEMBL4446894 0.88 PTGER4 (0.58) CA2CA1CA9CA12PTGER4
SCHEMBL6178384 0.86 CA2 (0.51) CA2CA1CA9CA12PTGER4
SCHEMBL4450390 0.84 CA2 (0.52) CA2CA1CA9CA12PTGER4
SCHEMBL6177377 0.84 CA12 (0.49) CA2CA1CA9CA12PTGER4
SCHEMBL6175056 0.83 CA1 (0.43) CA2CA1CA9CA12PTGER4
SCHEMBL6177143 0.82 FBP1 (0.49) CA2CA1CA9CA12PTGER4
SCHEMBL6179798 0.81 CA2 (0.52) CA2CA1CA9CA12PTGER4
SCHEMBL6178874 0.81 PTGER4 (0.46) CA2CA1CA9CA12PTGER4

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-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 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 (1 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES CA2 608/4885CA1 2155/4885CA9 1390/4885

“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.