SCHEMBL2646142

SCHEMBL2646142

CS(=O)(=O)Cc1ccc(/C(=C\C2CCCCC2)C(=O)Nc2nccs2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.55
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
TSHR P16473 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL2660152 0.86 GCK (0.60) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2645139 0.85 GCK (0.61) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2645135 0.85 GCK (0.61) GCKMEN1KMT2ATSHRLMNA
SCHEMBL27500214 0.84 GCK (0.47) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2646592 0.84 GCK (0.55) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2646589 0.84 GCK (0.55) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2649877 0.80 GCK (0.50) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2650193 0.80 GCK (0.50) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2646029 0.80 GCK (0.81) GCKMEN1KMT2ATSHRLMNA
SCHEMBL2646391 0.80 GCK (0.81) GCKMEN1KMT2ATSHRLMNA

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 9 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 claimed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP claimed
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 claimed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO claimed
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
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed