SCHEMBL5801451

SCHEMBL5801451

CC(C)(C)OC(=O)N[C@@H](C[S+]([O-])CC1(n2ccc3ccccc32)C=CC(c2ccccc2)=CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.38
PPARG P37231 5/20 0.38
ACE P12821 1/20 0.38
PPARD Q03181 2/20 0.37
AKT1 P31749 1/20 0.37
KMT2A Q03164 2/20 0.36
PTPN1 P18031 2/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
APP P05067 1/20 0.35
IDO1 P14902 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL4824912 0.72 CTSS (0.42) PPARAPPARGACEPPARDPTPN1
SCHEMBL4266201 0.68 MME (0.42) ACEKMT2A
SCHEMBL4825787 0.64 PPARA (0.63) PPARAPPARGACEPPARDCTSS
SCHEMBL5983441 0.63 NFKB1 (0.36) ACEAKT1KMT2ACTSSCTSK
SCHEMBL67020 0.63 ACE (0.79) PPARAPPARGACEPPARDAKT1
SCHEMBL66220 0.63 ACE (0.79) PPARAPPARGACEPPARDAKT1
SCHEMBL795685 0.63 ACE (0.79) PPARAPPARGACEPPARDAKT1
SCHEMBL21473784 0.63 ACE (0.79) PPARAPPARGACEPPARDAKT1
SCHEMBL27909397 0.63 ACE (0.79) PPARAPPARGACEPPARDAKT1
SCHEMBL606309 0.63 ACE (0.79) PPARAPPARGACEPPARDAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP claimed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
EP-1622886-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-08 EP disclosed
WO-2004099171-A2 SUBSTITUTED AMINO CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed