SCHEMBL6263293

SCHEMBL6263293

CCN(C(N)=O)C(=O)COc1c(C(=O)OC)sc(-c2cccc(NC3CC(C)(C)CC(C)(C)C3)c2)c1Br

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.66
PTPN2 P17706 5/20 0.66
PTPRC P08575 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6263328 0.92 PTPN1 (0.65) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6266148 0.92 PTPN1 (0.54) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907920 0.91 PTPN1 (0.68) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907400 0.87 PTPN1 (0.71) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909431 0.87 PTPN1 (0.87) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3904519 0.87 PTPN1 (0.66) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907919 0.85 PTPN1 (0.70) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263471 0.84 PTPN1 (0.54) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908549 0.84 PTPN1 (0.66) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909787 0.83 PTPN1 (0.70) PTPN1PTPN2PTPRCCYP2C9

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