SCHEMBL3907431

SCHEMBL3907431

O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCC(c4ccc(C(F)(F)F)cc4)CC3)c2)c1Br

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.73
PTPN2 P17706 8/20 0.63
PTPRC P08575 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL3911662 0.91 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3911831 0.91 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3904693 0.91 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906267 0.85 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3910558 0.84 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908697 0.84 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908283 0.84 PTPN1 (0.85) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906539 0.83 PTPN1 (0.67) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907296 0.83 PTPN1 (0.84) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906786 0.82 PTPN1 (0.81) 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
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US claimed