SCHEMBL7540101

SCHEMBL7540101

NC(=O)[C@H]1NCCc2c1sc(NC1CCCCO1)c2C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.31
PTPRC P08575 1/20 0.30
PTPN2 P17706 1/20 0.30

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
SCHEMBL7578658 0.83 HPGD (0.36) PTPN1PTPN2
SCHEMBL7536578 0.77 PTPN1 (0.38) PTPN1PTPRCPTPN2
SCHEMBL7512126 0.76 PTPN1 (0.53) PTPN1PTPRCPTPN2
SCHEMBL7693899 0.73 PTPN1 (0.53) PTPN1PTPRCPTPN2
SCHEMBL7562771 0.72 PTPN1 (0.35) PTPN1PTPRCPTPN2
SCHEMBL7557647 0.72 PTPN1 (0.37) PTPN1
SCHEMBL6394168 0.71 PTPN1 (0.36) PTPN1PTPN2
SCHEMBL7854135 0.71 PTPN1 (0.58) PTPN1PTPRCPTPN2
SCHEMBL27558196 0.70 PTPN1 (0.43) PTPN1PTPRCPTPN2
SCHEMBL7095258 0.70 POLB (0.45) PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed