SCHEMBL7076464

SCHEMBL7076464

CC(C)COc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2cccc(CC(F)(F)F)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.47
PTGS1 P23219 7/20 0.44
NPBWR1 P48145 1/20 0.35

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
SCHEMBL7079934 0.92 PTGS2 (0.45) PTGS2PTGS1NPBWR1
SCHEMBL4192810 0.88 PTGS2 (0.46) PTGS2PTGS1NPBWR1
SCHEMBL7082170 0.87 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4191568 0.86 PTGS2 (0.49) PTGS2PTGS1NPBWR1
SCHEMBL7076467 0.85 PTGS2 (0.47) PTGS2PTGS1NPBWR1
SCHEMBL4184194 0.82 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL4190870 0.81 PTGS2 (0.43) PTGS2PTGS1NPBWR1
SCHEMBL4192125 0.81 PTGS2 (0.43) PTGS2PTGS1NPBWR1
SCHEMBL4190874 0.81 PTGS2 (0.43) PTGS2PTGS1NPBWR1
SCHEMBL4183855 0.81 PTGS2 (0.50) 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-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US claimed

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-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885NPBWR1 1997/4885

“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.