SCHEMBL1677443

SCHEMBL1677443

Cc1ccc(S(=O)(=O)O)cc1.N#Cc1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.53

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 4)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 7/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
HTR7 P34969 1/20 0.47

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
SCHEMBL1114104 1.00 BCL2 (0.49) BCL2BCL2L1BAK1HTR7
SCHEMBL10058377 0.90 BCL2 (0.51) BCL2BCL2L1BAK1HTR7
SCHEMBL19145578 0.76 HTR7 (0.81) BCL2BCL2L1BAK1HTR7
SCHEMBL1677378 0.75 HTR7 (0.50) BCL2BCL2L1BAK1HTR7
SCHEMBL12806160 0.75 BCL2 (0.50) BCL2BCL2L1BAK1HTR7
SCHEMBL1114117 0.74 MEN1 (0.45)
SCHEMBL2388437 0.71 BCL2 (0.71) BCL2BCL2L1BAK1
SCHEMBL1569401 0.71 TP53 (0.72) HTR7
SCHEMBL19014647 0.71 BCL2 (0.64) BCL2BCL2L1BAK1HTR7
SCHEMBL376898 0.71 HTR7 (0.60) BCL2BCL2L1BAK1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 BCL2 3/4885BCL2L1 13/4885BAK1 8/4885

“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.