SCHEMBL9941289

SCHEMBL9941289

CS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 1.00
CA1 P00915 8/20 0.77
CA2 P00918 8/20 0.77
CA9 Q16790 8/20 0.77
ALOX5 P09917 2/20 0.72
EPHX2 P34913 1/20 0.66
PTGS1 P23219 3/20 0.65

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
SCHEMBL3864236 0.95 PTGS2 (0.90) PTGS2CA1CA2CA9ALOX5
SCHEMBL3869730 0.89 CA1 (0.80) PTGS2CA1CA2CA9ALOX5
SCHEMBL9941416 0.88 ALOX5 (0.81) PTGS2CA1CA2CA9ALOX5
SCHEMBL3864003 0.88 PTGS2 (0.78) PTGS2CA1CA2CA9ALOX5
SCHEMBL3867856 0.88 PTGS2 (0.78) PTGS2CA1CA2CA9ALOX5
SCHEMBL9941738 0.87 PTGS2 (0.77) PTGS2CA1CA2CA9ALOX5
SCHEMBL20741438 0.87 PTGS2 (0.77) PTGS2CA1CA2CA9ALOX5
SCHEMBL6344401 0.87 CA9 (1.00) PTGS2CA1CA2CA9PTGS1
SCHEMBL3863035 0.85 CA1 (0.81) PTGS2CA1CA2CA9PTGS1
SCHEMBL13239860 0.83 CA1 (0.70) PTGS2CA1CA2CA9PTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 WO 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-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 PTGS2 2/4885CA1 3868/4885CA2 4274/4885

“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.