SCHEMBL1114973

SCHEMBL1114973

CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.51
PTGS1 P23219 4/20 0.44
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KDR P35968 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL1115011 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL1115113 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL1115168 0.88 PTGS2 (0.47) PTGS2PTGS1F10
SCHEMBL1115160 0.88 PTGS2 (0.45) PTGS2PTGS1HPGDRAB9AKMT2A
SCHEMBL1115025 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5204036 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL1115171 0.84 PDPK1 (0.43) PTGS2PTGS1F10
SCHEMBL1114981 0.84 PTGS2 (0.46) PTGS2PTGS1CA2CA4CA7
SCHEMBL1114947 0.84 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2RAB9A
SCHEMBL1115045 0.82 PTGS2 (0.41) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP claimed
EP-1567508-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-12-10 EP claimed
EP-1567508-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-31 EP claimed
US-6849652-B1 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2005-02-01 US claimed
WO-2004046121-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-03 WO claimed
EP-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP disclosed
EP-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP disclosed
EP-1567508-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-12-10 EP disclosed
EP-1567508-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-31 EP disclosed
US-6849652-B1 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2005-02-01 US disclosed
WO-2004046121-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-03 WO disclosed