SCHEMBL6429423

SCHEMBL6429423

CC(C)(C)OC(=O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1Br

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.82
PTPN2 P17706 12/20 0.60
PTPRC P08575 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL3912292 0.94 PTPN1 (0.73) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3904935 0.90 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906862 0.86 PTPN1 (0.61) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3912375 0.86 PTPN1 (0.63) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908199 0.86 PTPN1 (0.74) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3910218 0.85 PTPN1 (0.73) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3912291 0.83 PTPN1 (0.85) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3912218 0.83 PTPN1 (0.84) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907465 0.83 PTPN1 (0.70) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906627 0.83 PTPN1 (0.76) 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