SCHEMBL5736892

SCHEMBL5736892

C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.74
PDK1 Q15118 18/20 0.67
PDK2 Q15119 18/20 0.67
PDK3 Q15120 18/20 0.67
PDK4 Q16654 18/20 0.67
ABCC9 O60706 1/20 0.63
ABCC8 Q09428 1/20 0.63
KCNJ11 Q14654 1/20 0.63
KCNJ8 Q15842 1/20 0.63
ABCB11 O95342 1/20 0.61

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
SCHEMBL5737843 1.00 PTGES2 (0.74) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5748221 0.93 PTGES2 (0.70) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737838 0.91 PDK1 (0.69) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737922 0.90 PDK1 (0.68) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5735953 0.90 PDK1 (0.79) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737845 0.90 PDK1 (0.70) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737589 0.90 PDK1 (0.68) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5738172 0.90 PDK1 (0.79) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5739202 0.90 PTGES2 (0.66) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737580 0.89 PDK1 (0.67) PTGES2PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064274-B1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-6667342-B1 Elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2003-12-23 US disclosed
EP-1064274-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
WO-1999047508-A1 BENZENESULFONAMIDE-DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 1999-09-23 WO disclosed