SCHEMBL6265189

SCHEMBL6265189

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.47
PTPN2 P17706 5/20 0.47
SLC6A2 P23975 12/20 0.38
SLC6A4 P31645 12/20 0.38
SLC6A3 Q01959 4/20 0.36

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
SCHEMBL6267804 0.95 PTPN1 (0.48) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6266127 0.94 PTPN1 (0.52) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6267161 0.93 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL6263443 0.92 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6261787 0.89 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL6262467 0.88 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6268242 0.88 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL6261763 0.88 PTPN1 (0.44) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6267320 0.87 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6262222 0.86 PTPN1 (0.45) PTPN1PTPN2SLC6A2SLC6A3

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