SCHEMBL6722679

SCHEMBL6722679

Cc1ncccc1-c1[nH]c(C(F)(F)F)nc1-c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PTGS2 P35354 2/20 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
TGFBR1 P36897 3/20 0.38
PTGS1 P23219 1/20 0.38
GRM4 Q14833 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPK14 Q16539 3/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
MTOR P42345 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE3B Q13370 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
SCHEMBL6733661 0.87 PTGS2 (0.40) ALOX5PTGS2TGFBR1PTGS1ESR1
SCHEMBL6740267 0.86 PTGS2 (0.39) ALOX5PTGS2PTGS1GRM4MAPK14
SCHEMBL6721490 0.84 ESR1 (0.43) ALOX5PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL6722691 0.84 ESR1 (0.41) ALOX5PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL6721985 0.84 ESR1 (0.55) ALOX5PTGS2PTGS1ESR1ESR2
SCHEMBL6725536 0.83 PTGS2 (0.42) ALOX5PTGS2PTGS1ESR1ESR2
SCHEMBL6721298 0.83 ALOX5 (0.39) ALOX5PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL6718891 0.83 PTGS2 (0.43) ALOX5PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL6730003 0.82 ESR1 (0.41) ALOX5PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL6723168 0.82 ESR1 (0.41) ALOX5PTGS2PIK3CDPIK3CAPIK3CB

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 ALOX5 108/4885PTGS2 5/4885PIK3CD 4290/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 ALOX5 79/4885PTGS2 5/4885PIK3CD 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.