SCHEMBL2646024

SCHEMBL2646024

CS(=O)(=O)c1ccc(C(=CC2CCCC2)C(=O)Nc2nccs2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.83
TSHR P16473 3/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL2646021 1.00 GCK (0.83) GCKTSHRMEN1USP2LMNA
SCHEMBL2646199 0.99 GCK (0.81) GCKTSHRMEN1USP2LMNA
SCHEMBL2646397 0.99 GCK (0.81) GCKTSHRMEN1USP2LMNA
SCHEMBL2646026 0.99 GCK (0.81) GCKTSHRMEN1USP2LMNA
SCHEMBL2646029 0.99 GCK (0.81) GCKTSHRMEN1USP2LMNA
SCHEMBL2646202 0.99 GCK (0.81) GCKTSHRMEN1USP2LMNA
SCHEMBL2646391 0.99 GCK (0.81) GCKTSHRMEN1USP2LMNA
SCHEMBL2653900 0.92 GCK (0.80) GCKKCNH2
SCHEMBL2653899 0.92 GCK (0.80) GCKKCNH2
SCHEMBL3388757 0.91 GCK (1.00) GCKMEN1KMT2AKCNH2ALDH1A1

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-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
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
CN-1185219-C Trans olefinic glucokinase activators HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
CN-1411453-A Trans olefinic glucokinase activators HOFFMANN LA ROCHE (CH) 2003-04-16 CN 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