SCHEMBL6473133

SCHEMBL6473133

Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](CCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

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 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 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
SCHEMBL6473684 1.00 CYP1A2 (0.37) CYP1A2CYP2C9ALDH1A1GAALMNA
SCHEMBL9893501 0.83 CYP1A2 (0.43) CYP1A2CYP2C9ALDH1A1LMNAKMT2A
SCHEMBL6481709 0.82 MEN1 (0.30) KMT2A
SCHEMBL6474831 0.82 MEN1 (0.30) KMT2A
SCHEMBL6263955 0.78 PLA2G2C (0.43) CYP1A2CYP2C9ALDH1A1
SCHEMBL7490279 0.78 CYP1A2 (0.45) CYP1A2CYP2C9ALDH1A1GAALMNA
SCHEMBL29386517 0.78 CYP1A2 (0.45) CYP1A2CYP2C9ALDH1A1GAALMNA
SCHEMBL4445795 0.73 CA2 (0.34) ALDH1A1LMNAKMT2ACA2CA1
SCHEMBL4466455 0.73 CYP1A2 (0.41) CYP1A2CYP2C9ALDH1A1GAALMNA
SCHEMBL1517741 0.73 CYP1A2 (0.43) CYP1A2CYP2C9ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933101-B2 Fluorine compound, surfactant, aqueous coating composition and silver halide photographic light-sensitive material using them FUJI PHOTO FILM CO., LTD. (JP) 2005-08-23 US disclosed
US-20040115571-A1 Fluorine compound, surfactant, aqueous coating composition and silver halide photographic light-sensitive material using them FUJI PHOTO FILM CO., LTD. 2004-06-17 US disclosed
US-6747169-B2 FLUORINE COMPOUND AND SURFACTANT CAN IMPART SURFACE FUNCTIONS SUCH AS WATER AND OIL REPELLING PROPERTIES AS WELL AS ANTISTATIC AND ANTIFOULING PROPERTIES FUJI PHOTO FILM CO., LTD. (JP) 2004-06-08 US disclosed
US-20030138745-A1 Fluorine compound, surfactant, aqueous coating composition and silver halide photographic light-sensitive material using them FUJIFILM CORPORATION (JP) 2003-07-24 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-20030138745-A1 Fluorine compound, surfactant, aqueous coating composition and silver halide photographic light-sensitive material using them FLNA, AFF1, FLOT1 CYP1A2 3289/4885CYP2C9 4481/4885ALDH1A1 1472/4885

“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.