SCHEMBL13875583

SCHEMBL13875583

COC(=O)[C@H](Cc1ccc(Oc2ccc(CC3SC(=S)NC3=O)c(C(F)(F)F)c2)cc1)NCl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
PPARG P37231 10/20 0.36
EPHX2 P34913 7/20 0.36
FFAR1 O14842 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ESRRA P11474 1/20 0.32
MPC2 O95563 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL13875705 0.90 CA2 (0.48) CA2PPARGFFAR1THRATHRB
SCHEMBL13866970 0.89 CA2 (0.46) CA2PPARGEPHX2FFAR1THRA
Hydrochloric Acid SCHEMBL3873591 0.89 CA2 (0.45) CA2PPARGEPHX2FFAR1THRA
SCHEMBL13875706 0.88 CA2 (0.48) CA2PPARGFFAR1THRATHRB
SCHEMBL13875744 0.82 MCL1 (0.42) PPARGEPHX2ESRRAPPARA
SCHEMBL13876150 0.81 CA2 (0.43) CA2PPARGFFAR1THRATHRB
SCHEMBL2568386 0.81 CA2 (0.45) CA2PPARGEPHX2FFAR1THRA
SCHEMBL17365879 0.80 CA2 (0.47) CA2PPARGFFAR1THRATHRB
SCHEMBL13875978 0.80 CA2 (0.48) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL13876145 0.80 CA2 (0.43) CA2PPARGFFAR1MPC2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848700-B1 SALTS OF (S)-2-AMINO-3-{4-[4-(2,4-DIOXO-THIAZOLIDIN-5-YLMETHYL)-PHENOXY]-PHENYL}-PROPIONIC ACID AND ITS METHYL ESTER AS INTERLEUKIN INHIBITORS FOR THE TREATMENT OF OBESITY OR DIABETES BEXEL PHARMACEUTICALS INC (US) 2015-12-30 EP disclosed
US-7521465-B2 Diphenyl ether derivatives BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed