SCHEMBL6718753

SCHEMBL6718753

Cc1ccc(-c2cscc2-c2ccc(S(C)(=O)=O)c(F)c2)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.48
PTGS1 P23219 2/20 0.42
S1PR1 P21453 2/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL6722775 0.91 PTGS2 (0.51) PTGS2PTGS1S1PR1PIK3CDPIK3CA
SCHEMBL6733105 0.88 PTGS2 (0.48) PTGS2PTGS1S1PR1DHODH
SCHEMBL6729970 0.84 PTGS2 (0.51) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6729126 0.84 PTGS2 (0.51) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6725820 0.82 PTGS2 (0.54) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7047515 0.82 PTGS2 (0.42) PTGS2ALOX5APFEN1
SCHEMBL6723198 0.82 PTGS2 (0.45) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6725499 0.81 PTGS2 (0.46) PTGS2PTGS1DHODH
SCHEMBL6730144 0.81 PTGS2 (0.48) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7046231 0.81 SYK (0.40) PTGS2PTGS1ALOX5APFEN1

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 6 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
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes PHARMACIA CORPORATION 2003-12-18 US disclosed
US-6600052-B1 With a ring cyclizing reagent to form the compound of Formula V to yield a compound of Formula V: inhibitors of the cyclooxygenase- II enzyme. and antiinflammatory agents and analgesic pharmaceutical agents. PHARMACIA CORPORATION 2003-07-29 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 (3 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 PTGS2 5/4885PTGS1 4/4885S1PR1 199/4885
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes CCNE2, CCNC, CYP3A4 PTGS2 784/4885PTGS1 1072/4885S1PR1 2396/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885S1PR1 199/4885

“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.