SCHEMBL6533244

SCHEMBL6533244

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3cccc(Cl)c3Cl)c2)c(Br)c1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.49
PTPN2 P17706 9/20 0.48

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
SCHEMBL6264927 0.94 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL6263509 0.93 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL6265103 0.92 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL6265776 0.91 PTPN1 (0.40) PTPN1PTPN2
SCHEMBL6263421 0.90 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL6267914 0.89 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL6262483 0.89 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL6264889 0.89 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL6267161 0.88 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL6263565 0.88 PTPN1 (0.53) 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