SCHEMBL7524009

SCHEMBL7524009

Cc1cccc(-n2ncc(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccc(F)cc3)c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.54
PTGS1 P23219 15/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4186684 0.91 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL4186346 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL4177935 0.84 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL4190514 0.83 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL4191346 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4197059 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4186378 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL4191151 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL4189706 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL4180371 0.81 PTGS2 (0.72) 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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 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-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885NPC1 4230/4885

“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.