SCHEMBL5837083

SCHEMBL5837083

COc1ccc2c(c1)C(=O)N(CC1OCCc3c1sc(NC(=O)C(=O)O)c3C(=O)O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.49
PTPN2 P17706 2/20 0.49
PTPRB P23467 2/20 0.49
ALDH1A1 P00352 6/20 0.38
PTPRC P08575 1/20 0.37
PTPRE P23469 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTPRA P18433 1/20 0.36
GLO1 Q04760 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOD1 Q9Y239 1/20 0.35
POLB P06746 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL6208795 0.87 PTPN1 (0.59) PTPN1PTPN2PTPRBALDH1A1PTPRC
SCHEMBL5843448 0.86 ALDH1A1 (0.40) PTPN1PTPN2PTPRBALDH1A1GAA
SCHEMBL5837682 0.81 CA9 (0.47) PTPN1PTPN2PTPRBALDH1A1KDM4E
SCHEMBL5837370 0.80 PTPN1 (0.45) PTPN1PTPN2PTPRBALDH1A1PTPRC
SCHEMBL5837045 0.80 PTPN1 (0.52) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837801 0.80 PTPN1 (0.44) PTPN1PTPN2PTPRBALDH1A1POLB
SCHEMBL5843149 0.79 PTPN1 (0.55) PTPN1PTPN2PTPRBALDH1A1PTPRC
SCHEMBL5837760 0.77 PTPN1 (0.47) PTPN1PTPN2PTPRBALDH1A1GAA
SCHEMBL5838028 0.76 PTPN1 (0.63) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838663 0.75 PTPN1 (0.47) PTPN1PTPN2PTPRBALDH1A1PTPRC

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-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
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-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