SCHEMBL5837682

SCHEMBL5837682

COc1ccc(C=C2SC(=O)N(CC3OCCc4c3sc(NC(=O)C(=O)O)c4C(=O)O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRB P23467 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MITF O75030 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5837801 0.93 PTPN1 (0.44) CA9PTPN2PTPN1PTPRBNPC1
SCHEMBL5837767 0.90 PTPN2 (0.44) CA9PTPN2PTPN1PTPRBNPC1
SCHEMBL7538674 0.87 CA9 (0.45) CA9NPC1RAB9ANFKB1NFKB2
SCHEMBL5837494 0.82 PTPN1 (0.49) CA9PTPN2PTPN1PTPRBNPC1
SCHEMBL5837083 0.81 PTPN1 (0.49) CA9PTPN2PTPN1PTPRBNPC1
SCHEMBL7534087 0.78 MEN1 (0.38) PTPN2PTPN1PTPRBNPC1MAPT
SCHEMBL6208795 0.76 PTPN1 (0.59) PTPN2PTPN1PTPRBALDH1A1CYP2C9
SCHEMBL5838663 0.74 PTPN1 (0.47) PTPN2PTPN1PTPRBALDH1A1
SCHEMBL5837045 0.72 PTPN1 (0.52) PTPN2PTPN1PTPRB
SCHEMBL5837760 0.70 PTPN1 (0.47) PTPN2PTPN1PTPRBMAPTKDM4E

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-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 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
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