SCHEMBL5791089

SCHEMBL5791089

Cc1[nH]cnc1CNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.66
PTGS1 P23219 9/20 0.66

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
SCHEMBL5787913 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL24335036 0.81 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7247539 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5785800 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5787610 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5788345 0.78 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5315322 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5787163 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5789241 0.76 MAPT (0.83) PTGS2PTGS1
SCHEMBL5787875 0.75 PTGS2 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254119-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-6780870-B2 TREATMENT OF THE PAIN (BOTH CHRONIC AND ACUTE), FEVER AND INFLAMMATION OF A VARIETY OF CONDITIONS AND DISEASES MEDIATED BY COX-2 SMITHKLINE BEECHAM CORPORATION 2004-08-24 US disclosed
EP-1254119-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2002-11-06 EP disclosed
WO-2001058881-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2001-08-16 WO disclosed