SCHEMBL6729149

SCHEMBL6729149

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(C#N)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPK14 Q16539 5/20 0.39
ALOX5 P09917 2/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
GCGR P47871 1/20 0.39
KIF11 P52732 1/20 0.39
BRAF P15056 2/20 0.37
CYP3A4 P08684 2/20 0.37
FASN P49327 5/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
TGFBR1 P36897 1/20 0.36
RAF1 P04049 1/20 0.35

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
SCHEMBL6722966 0.90 ESR1 (0.40) ESR1ESR2MAPK14ALOX5
SCHEMBL6736488 0.88 ESR1 (0.41) ESR1ESR2MAPK14ALOX5MAPK13
SCHEMBL6723408 0.88 BRAF (0.49) ESR1ESR2MAPK14ALOX5MAPK13
SCHEMBL6733215 0.88 FASN (0.38) ESR1ESR2MAPK14ALOX5MAPK13
SCHEMBL6722617 0.87 ESR1 (0.43) ESR1ESR2MAPK14ALOX5MAPK13
SCHEMBL6721490 0.87 ESR1 (0.43) ESR1ESR2MAPK14ALOX5MAPK13
SCHEMBL6729182 0.87 ESR1 (0.43) ESR1ESR2MAPK14ALOX5MAPK13
SCHEMBL6721985 0.87 ESR1 (0.55) ESR1ESR2MAPK14ALOX5BRAF
SCHEMBL6721387 0.86 ESR1 (0.35) ESR1ESR2MAPK14ALOX5BRAF
SCHEMBL6728736 0.86 ESR1 (0.35) ESR1ESR2MAPK14BRAFCYP3A4

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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 ESR1 1770/4885ESR2 176/4885MAPK14 2499/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 ESR1 1900/4885ESR2 160/4885MAPK14 2354/4885

“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.