SCHEMBL2645977

SCHEMBL2645977

CS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.38
AKR1C3 P42330 7/20 0.37
PTGS2 P35354 3/20 0.37
AKR1C2 P52895 1/20 0.37
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM2B Q8NHM5 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
SCHEMBL2645973 1.00 GCK (0.38) GCKAKR1C3PTGS2AKR1C2PIK3CD
SCHEMBL2645574 0.87 GCK (0.40) GCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2645570 0.87 GCK (0.40) GCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1171737 0.85 GCK (0.52) GCKAKR1C3AKR1C2PIK3CDPIK3CA
SCHEMBL1171734 0.85 GCK (0.52) GCKAKR1C3AKR1C2PIK3CDPIK3CA
SCHEMBL1171340 0.84 GCK (0.51) GCKAKR1C3AKR1C2PIK3CDPIK3CA
SCHEMBL1171343 0.84 GCK (0.51) GCKAKR1C3AKR1C2PIK3CDPIK3CA
SCHEMBL2646411 0.83 CNR2 (0.38) GCKAKR1C3PIK3CDPIK3CAPIK3CB
SCHEMBL2645515 0.83 CNR2 (0.38) GCKAKR1C3PIK3CDPIK3CAPIK3CB
SCHEMBL2645519 0.83 CNR2 (0.38) GCKAKR1C3PIK3CDPIK3CAPIK3CB

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-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed