SCHEMBL6722698

SCHEMBL6722698

Cc1cccc(-c2noc(CO)c2-c2ccc(S(N)(=O)=O)c(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
PTGS1 P23219 4/20 0.42
THRB P10828 3/20 0.41
TGFBR1 P36897 3/20 0.41
BRD4 O60885 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA4 P22748 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6730515 0.91 TGFBR1 (0.40) PTGS2PTGS1THRBTGFBR1BRD4
SCHEMBL6721372 0.91 PTGS2 (0.47) PTGS2PTGS1THRBTGFBR1BRD4
SCHEMBL6740262 0.88 PTGS2 (0.45) PTGS2PTGS1THRBTGFBR1BRD4
SCHEMBL6723450 0.87 PTGS2 (0.46) PTGS2PTGS1THRBTGFBR1BRD4
SCHEMBL6733780 0.86 PTGS2 (0.39) PTGS2PTGS1THRBTGFBR1BRD4
SCHEMBL6718472 0.84 PTGS2 (0.53) PTGS2PTGS1BRD4CA1CA2
SCHEMBL6730179 0.83 PTGS2 (0.43) PTGS2PTGS1BRD4CA1CA2
SCHEMBL6729399 0.83 PTGS2 (0.54) PTGS2PTGS1BRD4CA1CA2
SCHEMBL6730305 0.83 PTGS2 (0.43) PTGS2PTGS1THRBTGFBR1BRD4
SCHEMBL7111808 0.83 TGFBR1 (0.40) PTGS2PTGS1THRBTGFBR1ALDH1A1

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 4/4885THRB 1783/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885THRB 1714/4885

“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.