SCHEMBL6282860

SCHEMBL6282860

O=C(O)COc1c(C(=O)O)sc(-c2ccccc2NC(=O)c2ccco2)c1Br

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.72
PTPRC P08575 2/20 0.55
PTPN2 P17706 2/20 0.55
TSHR P16473 1/20 0.50

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
SCHEMBL3907098 0.83 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3905734 0.81 PTPN1 (0.81) PTPN1PTPRCPTPN2
SCHEMBL3904925 0.76 PTPN1 (0.60) PTPN1PTPRCPTPN2
SCHEMBL3905887 0.74 PTPN1 (0.79) PTPN1PTPRCPTPN2
SCHEMBL3908129 0.74 PTPN1 (0.79) PTPN1PTPRCPTPN2
SCHEMBL3909628 0.74 PTPN1 (0.69) PTPN1PTPRCPTPN2
SCHEMBL3907455 0.73 PTPN1 (0.67) PTPN1PTPRCPTPN2
SCHEMBL3907607 0.73 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3907720 0.72 PTPN1 (0.63) PTPN1PTPRCPTPN2
SCHEMBL3907037 0.72 PTPN1 (0.64) PTPN1TSHR

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