SCHEMBL6265209

SCHEMBL6265209

O=C(O)COc1c(C(=O)O)sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3cccc(Cl)c3)c2)c1Br

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.59
PTPN2 P17706 5/20 0.59
PTPRC P08575 2/20 0.50
CYP2C9 P11712 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
SCHEMBL3911747 0.93 PTPN1 (0.60) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263565 0.93 PTPN1 (0.53) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267851 0.93 PTPN1 (0.51) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3911927 0.91 PTPN1 (0.56) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6269188 0.90 PTPN1 (0.55) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6264430 0.89 PTPN1 (0.57) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262531 0.89 PTPN1 (0.54) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6265032 0.88 PTPN1 (0.56) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6264811 0.88 PTPN1 (0.60) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263523 0.88 PTPN1 (0.59) 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