SCHEMBL13867916

SCHEMBL13867916

COC(=O)c1sc(-c2cccc(C=O)c2)c(Br)c1OCC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.52
PTPN2 P17706 2/20 0.46
PTPRC P08575 1/20 0.46

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
SCHEMBL3909005 0.89 PTPN1 (0.50) PTPN1PTPN2PTPRC
SCHEMBL3917641 0.87 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL13877865 0.82 PTPN1 (0.43) PTPN1PTPN2PTPRC
SCHEMBL13867878 0.78 PTPN1 (0.63) PTPN1PTPN2PTPRC
SCHEMBL13878132 0.77 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL3907238 0.77 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL3909587 0.76 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL3917412 0.76 PTPN1 (0.61) PTPN1PTPN2PTPRC
SCHEMBL3907399 0.76 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL3903415 0.76 PTPN1 (0.76) PTPN1PTPN2PTPRC

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