SCHEMBL5735640

SCHEMBL5735640

CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.59
PDK1 Q15118 15/20 0.56
PDK2 Q15119 15/20 0.56
PDK3 Q15120 15/20 0.56
PDK4 Q16654 15/20 0.56
ABCC9 O60706 3/20 0.53
ABCC8 Q09428 3/20 0.53
KCNJ11 Q14654 3/20 0.53
KCNJ8 Q15842 3/20 0.53
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5737269 0.89 PDK1 (0.68) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL6569670 0.86 ABCC9 (0.56) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL6569666 0.86 ABCC9 (0.56) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737767 0.86 PTGES2 (0.66) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5736422 0.85 PTGES2 (0.80) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737443 0.84 PDK1 (0.64) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5736719 0.83 ALDH1A1 (0.50) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737696 0.83 L3MBTL1 (0.55) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5737050 0.81 ABCC9 (0.61) PTGES2PDK1PDK2PDK3PDK4
SCHEMBL5738883 0.80 ABCC9 (0.57) 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