SCHEMBL6722767

SCHEMBL6722767

Cc1cccc(-c2cscc2-c2ccc(S(C)(=O)=O)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
TGFBR1 P36897 9/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PTGS1 P23219 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
KDR P35968 2/20 0.37
MAPK14 Q16539 2/20 0.37
GHSR Q92847 1/20 0.37
RIPK2 O43353 1/20 0.36
THRB P10828 2/20 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
SCHEMBL6732861 0.85 TGFBR1 (0.43) PTGS2TGFBR1PTGS1KDRMAPK14
SCHEMBL6721676 0.82 PTGS2 (0.44) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7045231 0.81 TGFBR1 (0.46) PTGS2TGFBR1PIK3CDPIK3CAPIK3CB
SCHEMBL6726026 0.81 PTGS2 (0.48) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6729972 0.81 PTGS2 (0.45) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6725999 0.80 PTGS2 (0.49) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6722447 0.79 PTGS2 (0.60) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6729126 0.79 PTGS2 (0.51) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6723701 0.79 PTGS2 (0.60) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6718619 0.79 PTGS2 (0.53) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG

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 8 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
EP-1276736-A2 REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES Pharmacia Corporation (US) 2003-01-22 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081333-A2 REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES PHARMACIA CORPORATION (US) 2001-11-01 WO 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 5/4885TGFBR1 1380/4885PIK3CD 4290/4885
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes CCNE2, CCNC, CYP3A4 PTGS2 784/4885TGFBR1 2242/4885PIK3CD 1089/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885TGFBR1 1568/4885PIK3CD 4382/4885

“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.