SCHEMBL13867908

SCHEMBL13867908

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(OC3CCN(C(=O)C(F)(F)F)CC3)c2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.49
PTPN2 P17706 5/20 0.41

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
SCHEMBL13867912 0.91 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL3916524 0.90 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3907391 0.89 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL3914729 0.88 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL13867909 0.87 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL13877855 0.87 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3906027 0.86 PTPN1 (0.49) PTPN1
SCHEMBL3915352 0.83 PTPN1 (0.73) PTPN1PTPN2
SCHEMBL3916783 0.82 PTPN1 (0.59) PTPN1PTPN2
SCHEMBL3907399 0.82 PTPN1 (0.64) 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 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