SCHEMBL5838593

SCHEMBL5838593

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2CN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
CXCR2 P25025 12/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CXCR4 P61073 1/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSPO P30536 1/20 0.31
UBE2N P61088 1/20 0.31
THRB P10828 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5837475 0.91 PTPN1 (0.40) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL6315778 0.87 PTPN2 (0.38) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837700 0.85 PTPN2 (0.41) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837130 0.82 PTPN2 (0.35) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5838672 0.82 ADORA1 (0.38) CXCR2ALDH1A1HPGDMAPTLMNA
SCHEMBL5837100 0.80 CXCR2 (0.36) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5838122 0.78 PTPN2 (0.39) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837892 0.77 HPGD (0.43) PTPN2PTPN1PTPRBALDH1A1HPGD
SCHEMBL5838347 0.77 GPR119 (0.39) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837704 0.77 CXCR2 (0.39) CXCR2ALDH1A1MAPTLMNAKDM4E

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 3 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
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