SCHEMBL6721583

SCHEMBL6721583

CS(=O)(=O)c1ccc(-c2csc(=O)n2-c2ccc(Br)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PTGS1 P23219 4/20 0.38
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL6732458 0.92 PIK3CD (0.34) PTGS2CA12CA1CA2CA9
SCHEMBL6722645 0.92 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6723518 0.91 PTGS2 (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL6725642 0.90 PTGS2 (0.36) PTGS2CA12CA1CA2CA9
SCHEMBL6722428 0.89 PTGS2 (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL6726157 0.89 PTGS2 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6729591 0.89 GSK3A (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL6719412 0.88 CA2 (0.43) PTGS2CA12CA1CA2CA9
SCHEMBL6726139 0.88 PTGS2 (0.46) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6718571 0.88 PTGS2 (0.37) PTGS2CA12CA1CA2CA9

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 5/4885CA12 3799/4885CA1 1851/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885CA12 3837/4885CA1 2066/4885

“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.