SCHEMBL6729970

SCHEMBL6729970

CS(=O)(=O)c1ccc(-c2cscc2-c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
PTGS1 P23219 3/20 0.46
KIF11 P52732 1/20 0.43
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL6725499 0.89 PTGS2 (0.46) PTGS2PTGS1SCN9A
SCHEMBL6732633 0.86 PTGS2 (0.49) PTGS2PTGS1KIF11SCN9ASCN5A
SCHEMBL6718753 0.84 PTGS2 (0.48) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6722775 0.84 PTGS2 (0.51) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6733630 0.83 PTGS2 (0.51) PTGS2PTGS1KIF11ALOX5APFEN1
SCHEMBL6723235 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6722447 0.81 PTGS2 (0.60) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6729849 0.81 PTGS2 (0.54) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6723701 0.81 PTGS2 (0.60) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6718619 0.81 PTGS2 (0.53) PTGS2PTGS1PIK3CDPIK3CAPIK3CB

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 5/4885PTGS1 4/4885KIF11 4794/4885
US-20030232996-A1 Regioselective synthesis of 3,4-di{(carboclyl or heterocyclyl)thiophenes CCNE2, CCNC, CYP3A4 PTGS2 784/4885PTGS1 1072/4885KIF11 1915/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885KIF11 4773/4885

“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.