SCHEMBL7534087

SCHEMBL7534087

CC(=O)Nc1ccc(C=C2SC(=O)N(CC3OCCc4c3sc(NC3CCCCO3)c4C(=O)O)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTPN7 P35236 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KDR P35968 4/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
IKBKB O14920 1/20 0.34
NPC1 O15118 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AKR1B1 P15121 1/20 0.33
HCRTR1 O43613 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7538674 0.90 CA9 (0.45) MEN1KMT2ATDP1MAPTMAPK1
SCHEMBL5837682 0.78 CA9 (0.47) MEN1KMT2ATDP1MAPTMAPK1
SCHEMBL7155796 0.77 PTPN2 (0.43) KMT2APTPN2PTPN1PTPRBKDM4E
SCHEMBL5837801 0.73 PTPN1 (0.44) MAPTMAPK1NPC1PTPN2PTPN1
SCHEMBL5843448 0.73 ALDH1A1 (0.40) NPC1PTPN2PTPN1PTPRBKDM4E
SCHEMBL7565443 0.73 PTPN2 (0.38) MEN1KMT2APTPN2PTPN1PTPRB
SCHEMBL6394168 0.72 PTPN1 (0.36) PTPN2PTPN1PTPRB
SCHEMBL7536578 0.71 PTPN1 (0.38) PTPN2PTPN1PTPRB
SCHEMBL5837494 0.70 PTPN1 (0.49) MAPTMAPK1NPC1PTPN2PTPN1
SCHEMBL7095258 0.68 POLB (0.45) MEN1KMT2APTPN1ALDH1A1POLB

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 4 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 claimed
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 claimed
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