SCHEMBL6267161

SCHEMBL6267161

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3ccccc3C(F)(F)F)c2)c(Br)c1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.56
PTPN2 P17706 8/20 0.56
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
SCHEMBL6266236 0.93 PTPN1 (0.62) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6265189 0.93 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL6267752 0.92 PTPN1 (0.47) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6264889 0.90 PTPN1 (0.53) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6533244 0.88 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL6265692 0.88 PTPN1 (0.49) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267804 0.88 PTPN1 (0.48) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263646 0.88 PTPN1 (0.48) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6264636 0.88 PTPN1 (0.49) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262765 0.87 PTPN1 (0.51) 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