SCHEMBL5837494

SCHEMBL5837494

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2CN1C(=O)SC(=Cc2ccccn2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.49
PTPN2 P17706 9/20 0.49
PTPRB P23467 2/20 0.49
HDAC4 P56524 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
PTPRA P18433 1/20 0.35
PTPRC P08575 1/20 0.34
PTPRE P23469 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CA9 Q16790 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
SCHEMBL5842216 0.86 HDAC4 (0.45) PTPN1PTPN2PTPRBHDAC4HDAC8
SCHEMBL5838478 0.85 HDAC4 (0.41) PTPN1PTPN2PTPRBHDAC4HDAC8
SCHEMBL5837682 0.82 CA9 (0.47) PTPN1PTPN2PTPRBALDH1A1NPC1
SCHEMBL5837767 0.82 PTPN2 (0.44) PTPN1PTPN2PTPRBALDH1A1NPC1
SCHEMBL5837801 0.81 PTPN1 (0.44) PTPN1PTPN2PTPRBALDH1A1NPC1
SCHEMBL6208795 0.80 PTPN1 (0.59) PTPN1PTPN2PTPRBALDH1A1PTPRA
SCHEMBL5843149 0.79 PTPN1 (0.55) PTPN1PTPN2PTPRBALDH1A1PTPRA
SCHEMBL5837671 0.78 PTPN1 (0.49) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5838663 0.74 PTPN1 (0.47) PTPN1PTPN2PTPRBALDH1A1PTPRA
SCHEMBL5837045 0.73 PTPN1 (0.52) PTPN1PTPN2PTPRBPTPRAPTPRC

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 10 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-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP 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-2001019831-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
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP 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