SCHEMBL2646446

SCHEMBL2646446

NC(=O)NCC(=O)C(CC1CCCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
GCK P35557 9/20 0.40
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CA2 P00918 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 1/20 0.33
HPN P05981 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
SCHEMBL2648777 0.88 RXFP1 (0.38) KIF11MEN1KMT2A
SCHEMBL2648154 0.85 GCK (0.53) GCKMEN1KMT2A
SCHEMBL2646654 0.82 KIF11 (0.40) KIF11GCKMEN1KMT2A
SCHEMBL2645119 0.81 GCK (0.43) KIF11GCKDPP4PREPDPP7
SCHEMBL2648856 0.80 KMT2A (0.42) GCKMEN1KMT2A
SCHEMBL2646379 0.80 GCK (0.44) GCKDPP4PREPDPP7MEN1
SCHEMBL6596618 0.78 MEN1 (0.44) MEN1KMT2A
SCHEMBL2648782 0.77 CTSD (0.40)
SCHEMBL2648209 0.77 CTSD (0.46)
SCHEMBL2648331 0.77 GCK (0.36) GCKMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed