SCHEMBL6726563

SCHEMBL6726563

Cc1cc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
PTGS2 P35354 6/20 0.42
PTGS1 P23219 2/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPK14 Q16539 4/20 0.39
GSK3B P49841 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
BRAF P15056 2/20 0.37
CYP3A4 P08684 2/20 0.36
ALOX5 P09917 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 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
SCHEMBL6719155 0.93 ESR1 (0.39) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6718891 0.92 PTGS2 (0.43) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6730003 0.92 ESR1 (0.41) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6723527 0.91 KIF11 (0.40) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6718684 0.90 ESR1 (0.37) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6723034 0.89 ESR1 (0.38) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6721490 0.89 ESR1 (0.43) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6722691 0.89 ESR1 (0.41) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6721840 0.88 ESR1 (0.37) TGFBR1PTGS2PTGS1ESR1ESR2
SCHEMBL6728736 0.88 ESR1 (0.35) TGFBR1PTGS2PTGS1ESR1ESR2

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 TGFBR1 1380/4885PTGS2 5/4885PTGS1 4/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 TGFBR1 1568/4885PTGS2 5/4885PTGS1 4/4885

“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.