SCHEMBL5837592

SCHEMBL5837592

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2CNC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.50
PTPN2 P17706 3/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SCN4A P35499 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL5837940 0.94 PTPN1 (0.54) PTPN1PTPN2NPC1RAB9AKDM4E
SCHEMBL5838164 0.92 PTPN1 (0.49) PTPN1PTPN2NPC1RAB9AKDM4E
SCHEMBL7558300 0.86 KMT2A (0.42) PTPN1NPC1RAB9AKDM4EKMT2A
SCHEMBL5837651 0.85 DRD4 (0.46) PTPN1PTPN2MAPT
SCHEMBL5838423 0.85 MEN1 (0.44) PTPN1PTPN2KMT2AMEN1DRD3
SCHEMBL5837796 0.84 PTPN1 (0.46) PTPN1PTPN2NPC1RAB9AKMT2A
SCHEMBL5837772 0.84 PTPN1 (0.47) PTPN1PTPN2KMT2AMAPT
SCHEMBL7526850 0.84 PTPN1 (0.46) PTPN1PTPN2NPC1RAB9AKDM4E
SCHEMBL5837693 0.83 KMT2A (0.46) PTPN1PTPN2NPC1RAB9AKMT2A
SCHEMBL7553313 0.80 KDM4E (0.43) PTPN1NPC1RAB9AKDM4EKMT2A

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 5 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
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