SCHEMBL2646029

SCHEMBL2646029

CS(=O)(=O)c1ccc(C(=CC2CCCCC2)C(=O)Nc2nccs2)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.81
TSHR P16473 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
STAT3 P40763 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2646199 1.00 GCK (0.81) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2646397 1.00 GCK (0.81) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2646026 1.00 GCK (0.81) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2646391 1.00 GCK (0.81) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2646202 1.00 GCK (0.81) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2646021 0.99 GCK (0.83) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2646024 0.99 GCK (0.83) GCKTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2653900 0.91 GCK (0.80) GCKKCNH2
SCHEMBL2653899 0.91 GCK (0.80) GCKKCNH2
SCHEMBL3388757 0.90 GCK (1.00) GCKMEN1KMT2AALDH1A1KCNH2

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
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
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