SCHEMBL6730326

SCHEMBL6730326

COc1ccc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)COC2=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
PTGS2 P35354 11/20 0.53
PTGS1 P23219 6/20 0.53

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
SCHEMBL6730159 0.92 CYP19A1 (0.56) CYP19A1PTGS2PTGS1
SCHEMBL6721988 0.91 CYP19A1 (0.55) CYP19A1PTGS2PTGS1
SCHEMBL6736275 0.88 CYP19A1 (0.54) CYP19A1PTGS2PTGS1
SCHEMBL6733379 0.88 CYP19A1 (0.57) CYP19A1PTGS2PTGS1
SCHEMBL6719266 0.88 PTGS2 (0.58) CYP19A1PTGS2PTGS1
SCHEMBL6733741 0.88 PTGS2 (0.51) CYP19A1PTGS2PTGS1
SCHEMBL6718369 0.86 PTGS2 (0.59) CYP19A1PTGS2PTGS1
SCHEMBL6722733 0.84 PTGS2 (0.56) CYP19A1PTGS2PTGS1
SCHEMBL6739113 0.83 PTGS1 (0.63) CYP19A1PTGS2PTGS1
SCHEMBL6738720 0.83 PTGS2 (0.68) CYP19A1PTGS2PTGS1

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 CYP19A1 1102/4885PTGS2 5/4885PTGS1 4/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 CYP19A1 1069/4885PTGS2 5/4885PTGS1 4/4885

“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.