SCHEMBL4506776

SCHEMBL4506776

CNS(=O)(=O)c1cccc(CCC(S)C(Cc2ccc(N)nc2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 9/20 0.52
ACE P12821 3/20 0.39
POLB P06746 2/20 0.39
NAMPT P43490 1/20 0.37
CPA1 P15085 2/20 0.36
CPB1 P15086 4/20 0.35
AKR1C3 P42330 2/20 0.35
HPGDS O60760 1/20 0.35
TNNI3K Q59H18 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
SCHEMBL6488008 0.89 CPB2 (0.50) CPB2ACEPOLBNAMPTCPA1
SCHEMBL4502124 0.83 CPB2 (0.48) CPB2ACENAMPT
SCHEMBL4515230 0.82 CPB2 (0.57) CPB2ACECPB1
SCHEMBL4521167 0.82 CPB2 (0.57) CPB2ACECPA1CPB1
SCHEMBL4509144 0.82 CPB2 (0.46) CPB2ACENAMPTCPA1CPB1
SCHEMBL4009042 0.82 CPB2 (0.64) CPB2ACECPA1CPB1
SCHEMBL4508225 0.81 CPB2 (0.56) CPB2ACECPA1CPB1
SCHEMBL4512112 0.81 CPB2 (0.56) CPB2ACECPA1CPB1
SCHEMBL4512159 0.81 CPB2 (0.60) CPB2ACECPA1CPB1
SCHEMBL4493363 0.81 CPB2 (0.55) CPB2ACECPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572817-B2 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2009-08-11 US claimed
US-7572817-B2 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2009-08-11 US disclosed
EP-1532111-B1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID ASTRAZENECA AB (SE) 2007-08-08 EP disclosed
EP-1532111-A1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2003106420-A1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID ASTRAZENECA AB (SE) 2003-12-24 WO disclosed