SCHEMBL6263173

SCHEMBL6263173

O=C(O)COc1c(C(=O)O)sc(-c2cccc(OC(C(=O)Nc3ccccc3Cl)C3CCNCC3)c2)c1Br

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.58
PTPN2 P17706 3/20 0.57
PTPRC P08575 1/20 0.49

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
SCHEMBL6267132 0.93 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3916576 0.91 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL6264982 0.91 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL6262559 0.91 PTPN1 (0.57) PTPN1PTPN2PTPRC
SCHEMBL3909385 0.90 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL6265051 0.90 PTPN1 (0.56) PTPN1PTPN2PTPRC
SCHEMBL6263895 0.90 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL6261745 0.89 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL3908273 0.87 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL6262521 0.86 PTPN1 (0.52) 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
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed