SCHEMBL6000354

SCHEMBL6000354

Cc1ccc(S(=O)(=O)O)cc1.NCCc1cc(F)c(Cl)cc1Oc1ccc2c(c1)OCC2

nearest known ligand 0.45

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
CHRNB2 known ✓ P17787 1/20 0.33
CHRNA4 known ✓ P43681 1/20 0.33
SOS1 Q07889 16/20 0.45
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
LGALS8 O00214 1/20 0.38
LGALS3 P17931 1/20 0.38
KAT6A Q92794 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL5999808 0.94 SOS1 (0.46) SOS1HTR2ASLC6A4KCNH2
SCHEMBL6000347 0.90 SLC6A4 (0.51) SOS1HTR2ASLC6A4KCNH2LGALS8
SCHEMBL5999798 0.84 SLC6A4 (0.52) HTR2ASLC6A4KCNH2
SCHEMBL6000351 0.83 HTR2A (0.39) SOS1HTR2ASLC6A4KCNH2LGALS8
Formic Acid SCHEMBL5999505 0.77 CHRM2 (0.36) SOS1HTR2ASLC6A4KCNH2CHRM2
SCHEMBL5999804 0.77 HTR2A (0.39) SOS1HTR2ASLC6A4KCNH2LGALS8
Formic Acid SCHEMBL6000270 0.72 FFAR1 (0.39) SOS1HTR2ASLC6A4KCNH2CHRM2
SCHEMBL5998643 0.70 SOS1 (0.46) SOS1HTR2ASLC6A4KCNH2
SCHEMBL6000150 0.69 HTR2C (0.38) SOS1HTR2ASLC6A4KCNH2
SCHEMBL6000307 0.67 HTR2C (0.37) SOS1HTR2ASLC6A4KCNH2

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-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B CHRNB2 353/4885CHRNA4 344/4885SOS1 3837/4885

“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.