SCHEMBL322720

SCHEMBL322720

Cc1ccc(C(C=O)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
PTGS1 P23219 2/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPK14 Q16539 1/20 0.42
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
CCR9 P51686 1/20 0.36
ENPP2 Q13822 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL8191216 0.81 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL27890833 0.78 PTGS2 (0.48) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4030219 0.78 PTGS2 (0.51) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL7520699 0.77 PTGS2 (0.47) PTGS2ENPP2
SCHEMBL6119422 0.77 ALDH1A1 (0.38)
SCHEMBL6603370 0.76 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL1640713 0.74 PTGS2 (0.56) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL27482511 0.72 PTGS2 (0.46) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14655852 0.71 PTGS2 (0.47) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL27482169 0.71 PTGS2 (0.47) PTGS2PTGS1ABCC4ABCB11PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015036550-A1 PROCESS FOR MAKING ETORICOXIB SYNTHON B.V. (NL) 2015-03-19 WO disclosed
EP-2773618-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ETORICOXIB AND POLYMORPHS THEREOF Cadila Healthcare Limited (IN) 2014-09-10 EP disclosed
WO-2014114352-A1 PROCESS FOR MAKING ETORICOXIB SYNTHON BV (NL) 2014-07-31 WO disclosed
EP-2649049-A2 PRODUCE TO PRODUCE ETORICOXIB Virdev Intermediates Pvt. Ltd. (IN) 2013-10-16 EP disclosed
WO-2013105106-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ETORICOXIB AND POLYMORPHS THEREOF CADILA HEALTHCARE LIMITED (IN) 2013-07-18 WO disclosed
WO-2012066570-A2 A PROCESS FOR CYCLOOXYGENASE-2 SELECTIVE INHIBITOR VIRDEV INTERMEDIATES PVT. LTD. (IN) 2012-05-24 WO disclosed
WO-2012004677-A1 SOLID STATE FORMS OF ETORICOXIB SALTS ACTAVIS GROUP PTC EHF (IS) 2012-01-12 WO disclosed
EP-1492770-A1 OXIDATION PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF DIARYLPYRIDINES ZAMBON GROUP S.p.A. (IT) 2005-01-05 EP disclosed
WO-2003051843-A1 OXIDATION PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF DIARYLPYRIDINES ZAMBON GROUP S.P.A. (IT) 2003-06-26 WO disclosed
WO-2001017996-A1 1,2,3-THIADIAZOLES AND THEIR USE AS COX-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-03-15 WO disclosed