SCHEMBL13867892

SCHEMBL13867892

CC(=O)c1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.76
PTPRC P08575 3/20 0.74
PTPN2 P17706 3/20 0.74

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
SCHEMBL3907072 0.86 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3908410 0.86 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3907607 0.85 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL13867882 0.85 PTPN1 (0.76) PTPN1PTPRCPTPN2
SCHEMBL3908093 0.85 PTPN1 (0.76) PTPN1PTPRCPTPN2
SCHEMBL3914174 0.85 PTPN1 (0.79) PTPN1PTPRCPTPN2
SCHEMBL3907204 0.85 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3906951 0.84 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3909188 0.84 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3906586 0.84 PTPN1 (0.77) PTPN1PTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed