SCHEMBL13876150

SCHEMBL13876150

COC(=O)[C@H](Cc1ccc(Oc2ccc(CC3SC(=S)NC3=O)cc2F)cc1)NCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
PPARG P37231 8/20 0.38
PTPN1 P18031 2/20 0.38
FFAR1 O14842 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MPC2 O95563 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL13875580 0.92 PTPN1 (0.46) CA2PPARGPTPN1FFAR1ALDH1A1
SCHEMBL13875978 0.91 CA2 (0.48) CA2PPARGPTPN1FFAR1ALDH1A1
SCHEMBL13876145 0.91 CA2 (0.43) CA2PPARGPTPN1FFAR1ALDH1A1
SCHEMBL13866967 0.89 CA2 (0.44) CA2PPARGPTPN1FFAR1ALDH1A1
Hydrochloric Acid SCHEMBL3869871 0.88 CA2 (0.43) CA2PPARGPTPN1FFAR1ALDH1A1
SCHEMBL13875705 0.86 CA2 (0.48) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL13875697 0.83 ALDH1A1 (0.51) CA2PPARGPTPN1FFAR1ALDH1A1
SCHEMBL13875929 0.83 PTPN1 (0.55) CA2PPARGPTPN1FFAR1ALDH1A1
SCHEMBL13875706 0.82 CA2 (0.48) CA2PPARGFFAR1ALDH1A1NPSR1
SCHEMBL13875583 0.81 CA2 (0.45) 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