SCHEMBL6729182

SCHEMBL6729182

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
BRAF P15056 3/20 0.40
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
MAPK14 Q16539 5/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX5 P09917 2/20 0.38
MAPK11 Q15759 3/20 0.37
MAPK13 O15264 2/20 0.37
GCGR P47871 2/20 0.37
MAPK12 P53778 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL6722790 0.94 ESR1 (0.40) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6723408 0.92 BRAF (0.49) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6721490 0.91 ESR1 (0.43) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6721985 0.91 ESR1 (0.55) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6722617 0.91 ESR1 (0.43) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6726230 0.90 ESR1 (0.42) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6725552 0.90 ESR1 (0.39) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6726312 0.90 PTGS1 (0.46) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6723168 0.89 ESR1 (0.41) ESR1ESR2BRAFPTGS1PTGS2
SCHEMBL6730003 0.89 ESR1 (0.41) ESR1ESR2BRAFPTGS1PTGS2

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 176/4885BRAF 788/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 ESR1 1900/4885ESR2 160/4885BRAF 935/4885

“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.