SCHEMBL5838347

SCHEMBL5838347

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2CNC(=O)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.39
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRB P23467 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CXCR2 P25025 8/20 0.34
PDE4D Q08499 1/20 0.32
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
GLS O94925 1/20 0.31
KDM4E B2RXH2 2/20 0.30
POLB P06746 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
SCHEMBL5838674 0.87 GPR119 (0.41) GPR119ALDH1A1CXCR2LMNAHPGD
SCHEMBL5837241 0.83 PTPN1 (0.46) PTPN2PTPN1PTPRBALDH1A1LMNA
SCHEMBL6315778 0.82 PTPN2 (0.38) PTPN2PTPN1PTPRBALDH1A1CXCR2
SCHEMBL6230968 0.81 GPR119 (0.37) GPR119ALDH1A1
SCHEMBL5837475 0.78 PTPN1 (0.40) PTPN2PTPN1PTPRBALDH1A1CXCR2
SCHEMBL5838593 0.77 PTPN2 (0.39) PTPN2PTPN1PTPRBALDH1A1CXCR2
SCHEMBL5838437 0.77 CTSS (0.38) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5838122 0.76 PTPN2 (0.39) PTPN2PTPN1PTPRBALDH1A1CXCR2
SCHEMBL5837892 0.76 HPGD (0.43) PTPN2PTPN1PTPRBALDH1A1HPGD
SCHEMBL5838097 0.76 CTSS (0.45) CXCR2

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
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-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed