SCHEMBL4557565

SCHEMBL4557565

Cc1ccc(C)c(CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1.O=c1[nH][s+]([O-])[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.44
PTPN2 P17706 9/20 0.33
DAO P14920 3/20 0.32
HTT P42858 1/20 0.31
COMT P21964 1/20 0.31

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
SCHEMBL3223283 0.92 PTPN1 (0.49) PTPN1PTPN2DAOCOMT
SCHEMBL4733377 0.87 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL3216277 0.84 PTPN1 (0.49) PTPN1PTPN2DAOCOMT
SCHEMBL4782763 0.81 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL3214274 0.81 PTPN1 (0.52) PTPN1PTPN2DAO
SCHEMBL4316679 0.81 PTPN1 (0.57) PTPN1PTPN2DAO
SCHEMBL3208657 0.78 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL4556365 0.77 PTPN1 (0.44) PTPN1PTPN2DAO
SCHEMBL4557290 0.76 PTPN1 (0.40) PTPN1PTPN2
SCHEMBL3916808 0.76 PTPN1 (0.55) PTPN1PTPN2

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-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed