SCHEMBL5837475

SCHEMBL5837475

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
CXCR2 P25025 12/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
CXCR4 P61073 1/20 0.32
TSPO P30536 1/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL5838593 0.91 PTPN2 (0.39) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL6315778 0.88 PTPN2 (0.38) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL5837700 0.86 PTPN2 (0.41) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL5837130 0.83 PTPN2 (0.35) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL5837100 0.81 CXCR2 (0.36) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL5838350 0.80 ADORA1 (0.38) CXCR2ALDH1A1HPGDMAPTKDM4E
SCHEMBL5838122 0.79 PTPN2 (0.39) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL5837892 0.78 HPGD (0.43) PTPN1PTPN2PTPRBALDH1A1HPGD
SCHEMBL5838347 0.78 GPR119 (0.39) PTPN1PTPN2PTPRBCXCR2ALDH1A1
SCHEMBL5837704 0.78 CXCR2 (0.39) CXCR2ALDH1A1MAPTKDM4ELMNA

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