SCHEMBL13877882

SCHEMBL13877882

COC(=O)c1sc(-c2cccc(N(C(N)=O)C3CCCCC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.46
PTPN2 P17706 1/20 0.39

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
SCHEMBL3909880 0.93 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL3905279 0.92 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3907817 0.90 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL3909755 0.90 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6267834 0.90 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL3903425 0.90 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL6263759 0.90 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3916412 0.89 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL3908263 0.89 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL3909987 0.89 PTPN1 (0.47) 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