SCHEMBL15460593

SCHEMBL15460593

Cc1cccc(NC(=O)NCCc2cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.78
PTGS2 P35354 14/20 0.78
AKR1C3 P42330 1/20 0.65
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
PTGS1 P23219 2/20 0.58

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
SCHEMBL15460596 0.95 EPHX2 (0.85) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL15460592 0.91 EPHX2 (0.77) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL15460599 0.90 EPHX2 (0.83) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL15463062 0.88 EPHX2 (0.78) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL31738527 0.87 EPHX2 (1.00) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL9938907 0.87 EPHX2 (1.00) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL15460591 0.87 EPHX2 (0.79) EPHX2PTGS2AKR1C3
SCHEMBL9937759 0.87 EPHX2 (1.00) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL15460598 0.86 EPHX2 (0.88) EPHX2PTGS2AKR1C3CA1CA2
SCHEMBL15460595 0.85 PTGS2 (0.75) EPHX2PTGS2CA1CA2CA9

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-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

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 EPHX2 5/4885PTGS2 2/4885AKR1C3 1894/4885

“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.