SCHEMBL5837558

SCHEMBL5837558

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2CNC(=O)c2nn(-c3ccccc3)nc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.42
PTPN2 P17706 7/20 0.40
HDAC1 Q13547 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.36
GLO1 Q04760 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL7736684 0.86 HDAC1 (0.38) HDAC1KDM4EALDH1A1LMNAKMT2A
SCHEMBL5837772 0.84 PTPN1 (0.47) PTPN1PTPN2KMT2AGLO1
SCHEMBL5837796 0.84 PTPN1 (0.46) PTPN1PTPN2HDAC1ALDH1A1KMT2A
SCHEMBL7521500 0.84 PTPN1 (0.43) PTPN1PTPN2HDAC1KDM4EALDH1A1
SCHEMBL5837693 0.83 KMT2A (0.46) PTPN1PTPN2ALDH1A1LMNAKMT2A
SCHEMBL5837651 0.82 DRD4 (0.46) PTPN1PTPN2ALDH1A1
SCHEMBL5838423 0.80 MEN1 (0.44) PTPN1PTPN2KMT2A
SCHEMBL5837592 0.80 PTPN1 (0.50) PTPN1PTPN2KDM4EKMT2A
SCHEMBL5838080 0.79 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL5837940 0.78 PTPN1 (0.54) PTPN1PTPN2HDAC1KDM4EALDH1A1

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 7 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
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