SCHEMBL6722665

SCHEMBL6722665

Cc1cncc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
MAPK14 Q16539 5/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
BRAF P15056 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TGFBR1 P36897 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 2/20 0.35
PTGS1 P23219 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL6722691 0.90 ESR1 (0.41) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6721490 0.88 ESR1 (0.43) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6721412 0.86 MAPK14 (0.47) PTGS2MAPK14ESR1ESR2ALOX5
SCHEMBL6735025 0.86 PTGS2 (0.40) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6733489 0.85 PTGS2 (0.38) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6725536 0.85 PTGS2 (0.42) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6718891 0.85 PTGS2 (0.43) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6730003 0.85 ESR1 (0.41) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6723168 0.85 ESR1 (0.41) PTGS2MAPK14ESR1ESR2BRAF
SCHEMBL6723408 0.85 BRAF (0.49) PTGS2MAPK14ESR1ESR2BRAF

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 2 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US 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 PTGS2 5/4885MAPK14 2499/4885ESR1 1770/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885MAPK14 2354/4885ESR1 1900/4885

“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.