SCHEMBL4008752

SCHEMBL4008752

Nc1ncc(CC(CS)C(=O)O)cc1CO

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.51
FOLH1 Q04609 2/20 0.47
CPA3 P15088 1/20 0.47

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
SCHEMBL4008975 0.81 CPB2 (0.75) CPB2FOLH1CPA3
SCHEMBL4013708 0.81 CPB2 (0.56) CPB2FOLH1CPA3
SCHEMBL4007106 0.75 CPB2 (0.71) CPB2FOLH1CPA3
SCHEMBL27517454 0.73 CPB2 (0.33) CPB2
SCHEMBL27667737 0.72 CPB2 (0.56) CPB2FOLH1CPA3
SCHEMBL4010501 0.71 GABRP (0.55) CPB2FOLH1CPA3
SCHEMBL12020098 0.70 DHFR (0.41)
SCHEMBL4005845 0.69 CPB2 (0.55) CPB2FOLH1CPA3
SCHEMBL27517453 0.68 CPB2 (0.35) CPB2
SCHEMBL4005849 0.66 SMN1; SMN2 (0.47) FOLH1CPA3

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
WO-2009082340-A1 METHOD FOR MONITORING THE PROGRESSION OF FIBRINOLYSIS'646 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed