SCHEMBL7216261

SCHEMBL7216261

COc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.52
PTGS1 P23219 4/20 0.45
ROCK2 O75116 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3B P49841 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL5267147 0.96 PTGS2 (0.54) PTGS2PTGS1KDM4ENPC1ALDH1A1
SCHEMBL7221442 0.91 ROCK2 (0.46) PTGS2ROCK2PIM1GSK3BTUBB4A
SCHEMBL7216630 0.90 PTGS2 (0.50) PTGS2ROCK2PIM1GSK3BTUBB4A
SCHEMBL7220911 0.88 PTGS2 (0.50) PTGS2PTGS1ROCK2PIM1GSK3B
SCHEMBL5264827 0.86 ALDH1A1 (0.56) ROCK2PIM1GSK3BTUBB4ATUBB
SCHEMBL7216393 0.84 PTGS2 (0.60) PTGS2PTGS1KDM4ENPC1ALDH1A1
SCHEMBL7215555 0.83 KDM4E (0.60) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL5261561 0.83 KDM4E (0.59) PTGS2PTGS1ROCK2PIM1GSK3B
SCHEMBL7220519 0.83 KDM4E (0.59) PTGS2PTGS1ROCK2PIM1GSK3B
SCHEMBL5266278 0.82 KDM4E (0.46) PTGS2PTGS1ROCK2PIM1GSK3B

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