SCHEMBL6718980

SCHEMBL6718980

Cc1csc(-c2cccnc2-c2ccc(S(N)(=O)=O)c(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
PTGS1 P23219 2/20 0.43
TGFBR1 P36897 2/20 0.43
ALOX5AP P20292 6/20 0.40
FEN1 P39748 6/20 0.40
PDE10A Q9Y233 1/20 0.38
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL7042019 0.90 TGFBR1 (0.41) PTGS2PTGS1TGFBR1ALOX5APFEN1
SCHEMBL6750007 0.87 TGFBR1 (0.42) PTGS2TGFBR1ALOX5APFEN1PDE10A
SCHEMBL6744930 0.86 TGFBR1 (0.39) PTGS2TGFBR1ALOX5APFEN1PDE10A
SCHEMBL6718990 0.84 SCN9A (0.44) PTGS2PTGS1TGFBR1ALOX5APFEN1
SCHEMBL6723580 0.84 ALOX5AP (0.48) PTGS2PTGS1TGFBR1ALOX5APFEN1
SCHEMBL6729350 0.82 TGFBR1 (0.40) PTGS2PTGS1TGFBR1ALOX5APFEN1
SCHEMBL6718407 0.82 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6726057 0.81 TGFBR1 (0.48) PTGS2PTGS1TGFBR1ALOX5APFEN1
SCHEMBL6725390 0.81 PTGS2 (0.45) PTGS2PTGS1TGFBR1ALOX5APFEN1
SCHEMBL6730452 0.81 PTGS2 (0.45) PTGS2PTGS1TGFBR1ALOX5APFEN1

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 4/4885TGFBR1 1380/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885TGFBR1 1568/4885

“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.