SCHEMBL7215562

SCHEMBL7215562

COc1ccc(-c2nc3cnccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.50
PTGS1 P23219 5/20 0.48
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7217007 0.88 PTGS2 (0.52) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL7216551 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7216301 0.83 GAA (0.56) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL7218478 0.83 PTGS2 (0.60) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL7220911 0.80 PTGS2 (0.50) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL7221208 0.80 PTGS2 (0.59) PTGS2PTGS1GAA
SCHEMBL7221387 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7546647 0.76 PTGS2 (0.53) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7222366 0.75 PTGS2 (0.53) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7222428 0.74 GAA (0.55) PTGS2PTGS1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP claimed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP claimed
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP disclosed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP disclosed