SCHEMBL13875705

SCHEMBL13875705

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
PPARG P37231 8/20 0.38
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
KMT2A Q03164 1/20 0.33
MPC2 O95563 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR1 O14842 2/20 0.32
ALB P02768 1/20 0.32
IL2 P60568 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
SCHEMBL13875706 0.91 CA2 (0.48) CA2PPARGTHRATHRBMPC2
SCHEMBL13875583 0.90 CA2 (0.45) CA2PPARGTHRATHRBMPC2
SCHEMBL13866964 0.89 CA2 (0.48) CA2PPARGTHRATHRBKMT2A
Hydrochloric Acid SCHEMBL3868670 0.88 CA2 (0.48) CA2PPARGTHRATHRBKMT2A
SCHEMBL13876150 0.86 CA2 (0.43) CA2PPARGTHRATHRBKMT2A
SCHEMBL17365879 0.83 CA2 (0.47) CA2PPARGTHRATHRBKMT2A
SCHEMBL13875978 0.82 CA2 (0.48) CA2PPARGKMT2AMPC2CYP2C8
SCHEMBL13876145 0.82 CA2 (0.43) CA2PPARGMPC2CYP2C8CYP2C9
SCHEMBL13866962 0.81 CA2 (0.48) CA2PPARGTHRATHRBMPC2
SCHEMBL13912042 0.80 PPARG (0.52) PPARGKMT2AMPC2CYP2C8CYP2C9

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