SCHEMBL6730144

SCHEMBL6730144

Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)CCC2)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.48
PTGS1 P23219 6/20 0.42
GRM2 Q14416 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 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
SCHEMBL6729354 0.91 PTGS2 (0.51) PTGS2PTGS1GRM2
SCHEMBL6722069 0.90 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7537652 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7111850 0.84 PTGS2 (0.57) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6725700 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6740287 0.83 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7538872 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7545945 0.82 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7537415 0.82 PTGS2 (0.41) PTGS2PTGS1GRM2
SCHEMBL6732439 0.81 PTGS2 (0.43) 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885GRM2 814/4885

“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.