SCHEMBL6269640

SCHEMBL6269640

Cc1c(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc(C(=O)OCC2CCCCC2)c1OC(C(=O)O)C(Oc1c(C(=O)OCC2CCCCC2)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.64
PTPN2 P17706 11/20 0.54
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
SCHEMBL3915350 0.90 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6269620 0.90 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906386 0.85 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6264772 0.84 PTPN1 (0.55) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6280193 0.83 PTPN1 (0.63) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909686 0.83 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3916228 0.83 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906384 0.83 PTPN1 (0.72) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3921464 0.81 PTPN1 (0.86) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909911 0.81 PTPN1 (0.73) 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