SCHEMBL5837772

SCHEMBL5837772

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2CNC(=O)c2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.47
PTPN2 P17706 7/20 0.46
GLO1 Q04760 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCR3 P49682 1/20 0.38

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
SCHEMBL5837796 0.94 PTPN1 (0.46) PTPN1PTPN2GLO1SMN1; SMN2HDAC6
SCHEMBL5837693 0.93 KMT2A (0.46) PTPN1PTPN2GLO1MAPTL3MBTL1
SCHEMBL5837651 0.86 DRD4 (0.46) PTPN1PTPN2MAPT
SCHEMBL5838423 0.84 MEN1 (0.44) PTPN1PTPN2SMN1; SMN2KMT2A
SCHEMBL5837592 0.84 PTPN1 (0.50) PTPN1PTPN2MAPTKMT2A
SCHEMBL5837558 0.84 PTPN1 (0.42) PTPN1PTPN2GLO1KMT2A
SCHEMBL7736217 0.82 PTPN1 (0.43) PTPN1PTPN2SMN1; SMN2MAPTL3MBTL1
SCHEMBL5837940 0.82 PTPN1 (0.54) PTPN1PTPN2HDAC6MAPTKMT2A
SCHEMBL5838068 0.82 PTPN1 (0.43) PTPN1PTPN2GLO1SMN1; SMN2MAPT
SCHEMBL5838164 0.82 PTPN1 (0.49) PTPN1PTPN2MAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US claimed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US 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 claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO 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
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed