SCHEMBL6729549

SCHEMBL6729549

Cc1ccc(-c2noc(CF)c2-c2ccc(S(C)(=O)=O)c(F)c2)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
GRM2 Q14416 6/20 0.35
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL6725755 0.93 PTGS2 (0.39) PTGS2GRM2PAX8
SCHEMBL6722674 0.92 PTGS2 (0.44) PTGS2GRM2PAX8MEN1NPC1
SCHEMBL6718609 0.92 BRD4 (0.39) PTGS2GRM2PAX8MEN1NPC1
SCHEMBL6733631 0.90 PTGS2 (0.40) PTGS2GRM2PAX8MEN1NPC1
SCHEMBL6734692 0.89 PTGS2 (0.36) PTGS2GRM2PAX8
SCHEMBL6718900 0.88 PAX8 (0.46) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6722942 0.87 PTGS2 (0.44) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6722074 0.87 PTGS2 (0.48) PTGS2GRM2PAX8MEN1NPC1
SCHEMBL6725361 0.86 PTGS2 (0.50) PTGS2
SCHEMBL6723142 0.86 PTGS2 (0.43) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG

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 5/4885GRM2 893/4885PAX8 3383/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885GRM2 814/4885PAX8 3355/4885

“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.