SCHEMBL13504176

SCHEMBL13504176

CC(C)C(O)c1cc(C(=O)Nc2ncc(Cl)s2)n(Cc2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
FFAR2 O15552 5/20 0.39
SCN3A Q9NY46 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
RXRA P19793 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
MPL P40238 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL13504179 0.92 SCD (0.41) SCDFFAR2STIM1ORAI1RXRA
SCHEMBL15104342 0.87 FFAR2 (0.37) SCDFFAR2SCN3ARXRAGRIN1
SCHEMBL2661544 0.85 MEN1 (0.45) LMNATP53
SCHEMBL3754530 0.84 GCK (0.41) MPLLMNATP53MAPTP2RX7
SCHEMBL2662221 0.81 P2RX7 (0.35) SCDMPLLMNATP53MAPT
SCHEMBL15103899 0.79 SCD (0.38) SCDFFAR2RXRAGRIN1GRIN2B
SCHEMBL13504172 0.79 GCK (0.46) FFAR2
SCHEMBL2661487 0.79 RXRA (0.41) RXRAGRIN1GRIN2BLMNATP53
SCHEMBL2661599 0.78 GCK (0.41) P2RX7
SCHEMBL15103701 0.77 FFAR2 (0.40) SCDFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP claimed
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP disclosed
US-8299115-B2 Pyrrole-2-carboxamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2012-10-30 US disclosed