SCHEMBL6725536

SCHEMBL6725536

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cccnc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PTGS1 P23219 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALOX5 P09917 2/20 0.39
BRAF P15056 4/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NTRK1 P04629 1/20 0.38
MAPK14 Q16539 2/20 0.37
NPY5R Q15761 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
SCHEMBL6721985 0.88 ESR1 (0.55) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6734030 0.87 PTGS2 (0.41) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6733479 0.87 PTGS2 (0.41) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6722665 0.85 PTGS2 (0.40) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6723345 0.85 ESR1 (0.44) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6723408 0.85 BRAF (0.49) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6730003 0.85 ESR1 (0.41) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6723168 0.85 ESR1 (0.41) PTGS2PTGS1ESR1ESR2ALOX5
SCHEMBL6722772 0.84 MAPK14 (0.47) PTGS2ESR1ESR2ALOX5MAPK14
SCHEMBL6721412 0.84 MAPK14 (0.47) PTGS2PTGS1ESR1ESR2ALOX5

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 5/4885PTGS1 4/4885ESR1 1770/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ESR1 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.