SCHEMBL6730134

SCHEMBL6730134

CS(=O)(=O)c1ccc(-c2nc(C(F)F)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
ALOX5 P09917 3/20 0.39
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MAPK14 Q16539 6/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK13 O15264 2/20 0.37
RAF1 P04049 2/20 0.37
MAPK12 P53778 2/20 0.37
CYP3A4 P08684 2/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK1A1L Q8N752 1/20 0.36
MAPK9 P45984 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
SCHEMBL6719244 0.90 MAPK14 (0.45) TYK2ALOX5APFEN1PTGS2MAPK14
SCHEMBL6723200 0.89 PTGS1 (0.48) ALOX5PTGS1PTGS2MAPK14MAPK11
SCHEMBL6729817 0.88 TYK2 (0.38) TYK2ALOX5APFEN1ALOX5PTGS1
SCHEMBL6722081 0.88 ALDH1A1 (0.47) ALOX5PTGS1PTGS2MAPK14CYP3A4
SCHEMBL6723415 0.88 ALDH1A1 (0.43) TYK2ALOX5PTGS1PTGS2MAPK14
SCHEMBL6723552 0.88 PTGS1 (0.39) ALOX5PTGS1PTGS2MAPK14MAPK11
SCHEMBL6729652 0.87 ALOX5AP (0.40) TYK2ALOX5APFEN1ALOX5PTGS1
SCHEMBL6721907 0.87 PTGS2 (0.46) TYK2ALOX5PTGS1PTGS2MAPK14
SCHEMBL6730668 0.86 PTGS1 (0.40) TYK2ALOX5PTGS1PTGS2MAPK14
SCHEMBL6719062 0.86 PTGS2 (0.38) TYK2ALOX5PTGS1PTGS2MAPK14

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 TYK2 750/4885ALOX5AP 454/4885FEN1 1649/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 TYK2 662/4885ALOX5AP 395/4885FEN1 1713/4885

“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.