SCHEMBL13878005

SCHEMBL13878005

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(C(N)=O)cc2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.48
PTPRC P08575 4/20 0.43
PTPN2 P17706 4/20 0.43

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
SCHEMBL13867890 0.91 PTPN1 (0.49) PTPN1PTPRCPTPN2
SCHEMBL3907448 0.91 PTPN1 (0.54) PTPN1PTPRCPTPN2
SCHEMBL3909646 0.89 PTPN1 (0.58) PTPN1PTPRCPTPN2
SCHEMBL13867883 0.88 PTPN1 (0.51) PTPN1PTPRCPTPN2
SCHEMBL6261791 0.88 PTPN1 (0.43) PTPN1PTPRCPTPN2
SCHEMBL13867884 0.88 PTPN1 (0.48) PTPN1PTPRCPTPN2
SCHEMBL3915222 0.87 PTPN1 (0.50) PTPN1PTPRCPTPN2
SCHEMBL3908176 0.87 PTPN1 (0.50) PTPN1PTPRCPTPN2
SCHEMBL3916561 0.87 PTPN1 (0.44) PTPN1PTPRCPTPN2
SCHEMBL3905661 0.86 PTPN1 (0.49) 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