SCHEMBL7214573

SCHEMBL7214573

CCOc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.51
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
AKT1 P31749 2/20 0.43
AKT2 P31751 2/20 0.43
PTGS1 P23219 2/20 0.43
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL7223747 0.91 ALDH1A1 (0.46) PTGS2KDM4EALDH1A1NPC1RAB9A
SCHEMBL7215555 0.89 KDM4E (0.60) PTGS2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5263797 0.86 PTGS2 (0.60) PTGS2KDM4EALDH1A1AKT1AKT2
SCHEMBL7221448 0.86 PTGS2 (0.60) PTGS2KDM4EALDH1A1AKT1AKT2
SCHEMBL7218013 0.85 PTGS2 (0.50) PTGS2KDM4EALDH1A1RAB9AAKT1
SCHEMBL7220425 0.84 PTGS2 (0.49) PTGS2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5261262 0.84 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL7217077 0.84 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL5261561 0.84 KDM4E (0.59) PTGS2KDM4EALDH1A1RAB9AAKT1
SCHEMBL7220519 0.84 KDM4E (0.59) PTGS2KDM4EALDH1A1RAB9AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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