SCHEMBL6729591

SCHEMBL6729591

CS(=O)(=O)c1ccc(-c2csc(=O)n2-c2cccc(Br)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PTGS2 P35354 4/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
DCTPP1 Q9H773 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
POLB P06746 1/20 0.33
PTGS1 P23219 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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 0.90 PIK3CD (0.34) PTGS2CA12CA1CA2CA9
SCHEMBL6718932 0.89 CA12 (0.40) GSK3AGSK3BPTGS2CA12CA1
SCHEMBL6730523 0.89 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6721583 0.89 PTGS2 (0.38) GSK3AGSK3BPTGS2CA12CA1
SCHEMBL6722756 0.88 PTGS2 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6721393 0.88 ALDH1A1 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6726157 0.88 PTGS2 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6725642 0.86 PTGS2 (0.36) PTGS2CA12CA1CA2CA9
SCHEMBL6723420 0.85 ELANE (0.38) POLBMEN1KMT2A
SCHEMBL6723318 0.85 PTGS2 (0.39) PTGS2PTGS1

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 GSK3A 4182/4885GSK3B 3793/4885PTGS2 5/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 GSK3A 4117/4885GSK3B 3612/4885PTGS2 5/4885

“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.