SCHEMBL5837745

SCHEMBL5837745

COc1ccc(CN2Cc3sc(NC(=O)C(=O)O)c(C(=O)O)c3CC2CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
AKR1C2 P52895 1/20 0.41
PTPN2 P17706 3/20 0.38
PTPN5 P54829 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC1 Q13547 7/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7550192 0.93 AKR1C2 (0.38) PTPN1AKR1C2PTPN5MTNR1AMTNR1B
SCHEMBL5837754 0.88 AKR1C2 (0.36) PTPN1AKR1C2PTPN5MTNR1AMTNR1B
SCHEMBL7555860 0.87 AKR1C2 (0.37) AKR1C2PTPN5MTNR1AMTNR1BPTGDR2
SCHEMBL5838311 0.83 AKR1C2 (0.39) AKR1C2PTPN5MTNR1AMTNR1BPTGDR2
SCHEMBL7519093 0.78 PTPN1 (0.46) PTPN1PTPN2HDAC1MAPTHDAC2
SCHEMBL7521067 0.77 PTPN1 (0.47) PTPN1PTPN2MAPT
SCHEMBL7522308 0.76 GLO1 (0.46) PTPN1PTPN2MAPTMEN1KMT2A
SCHEMBL7519972 0.76 PTPN1 (0.44) PTPN1PTPN2MAPTMEN1KMT2A
SCHEMBL7521500 0.75 PTPN1 (0.43) PTPN1PTPN2HDAC1KMT2AKDM4E
SCHEMBL5838091 0.75 PTPN1 (0.53) PTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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