SCHEMBL6263443

SCHEMBL6263443

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
PTPN2 P17706 1/20 0.40
SLC6A2 P23975 16/20 0.35
SLC6A4 P31645 16/20 0.35
SLC6A3 Q01959 5/20 0.35

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
SCHEMBL6267752 0.93 PTPN1 (0.47) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6265189 0.92 PTPN1 (0.47) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6265087 0.90 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL6267804 0.88 PTPN1 (0.48) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6265089 0.86 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6266127 0.86 PTPN1 (0.52) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6267161 0.85 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL6264266 0.85 PTPN1 (0.37) PTPN1
SCHEMBL6262345 0.83 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL6265776 0.83 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4SLC6A3

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