SCHEMBL5837103

SCHEMBL5837103

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.42
CXCR2 P25025 6/20 0.42
GRM6 O15303 1/20 0.41
CXCR4 P61073 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 1/20 0.39
F11 P03951 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TSPO P30536 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL5837632 0.82 ADORA1 (0.48) ADORA1GRM6KDM4EMAPT
SCHEMBL5838302 0.79 HDAC8 (0.49) ADORA1CXCR2GRM6CXCR4HDAC8
SCHEMBL5837554 0.76 ADORA1 (0.40) ADORA1GRM6KDM4EMAPT
SCHEMBL7550611 0.73 NPC1 (0.51) HDAC8NPC1PTPN2PTPN1PTPN6
SCHEMBL5837562 0.72 GRM6 (0.37) ADORA1CXCR2GRM6KDM4EMAPT
SCHEMBL5837175 0.72 TPSAB1 (0.39) ADORA1NPC1KDM4E
SCHEMBL5838367 0.71 CXCR2 (0.48) ADORA1CXCR2GRM6CXCR4NPC1
SCHEMBL5837061 0.71 ADORA1 (0.52) ADORA1GRM6KDM4EMAPT
SCHEMBL7519830 0.70 ADORA1 (0.43) ADORA1GRM6MAPT
SCHEMBL5838731 0.70 ADORA1 (0.48) ADORA1GRM6KDM4EMAPT

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 5 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 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-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed