SCHEMBL6722756

SCHEMBL6722756

Cc1cccc(-n2c(-c3ccc(S(C)(=O)=O)c(F)c3)csc2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
PTGS1 P23219 3/20 0.39
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
ALOX5 P09917 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL6730523 0.90 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6723555 0.90 PIK3CD (0.37) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6721393 0.89 ALDH1A1 (0.39) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6726157 0.89 PTGS2 (0.39) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6729591 0.88 GSK3A (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6723518 0.87 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6723420 0.86 ELANE (0.38) TP53MAPTMEN1KMT2A
SCHEMBL6723318 0.86 PTGS2 (0.39) PTGS2PTGS1ALOX5
SCHEMBL6730269 0.85 PIK3CD (0.38) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6725990 0.85 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB

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 4/4885PIK3CD 4290/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885PIK3CD 4382/4885

“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.