SCHEMBL5837643

SCHEMBL5837643

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C=O)OC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.42
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TSPO P30536 1/20 0.37
RAB7A P51149 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CXCR4 P61073 1/20 0.34

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
SCHEMBL5837569 0.83 CXCR2 (0.42) CXCR2ALDH1A1MAPTKDM4EHTT
SCHEMBL5838393 0.82 CXCR2 (0.41) CXCR2ALDH1A1MAPTKDM4EHTT
SCHEMBL5838158 0.77 CXCR2 (0.54) CXCR2ALDH1A1MAPTTSPORAB7A
SCHEMBL6314950 0.77 CXCR2 (0.46) CXCR2ALDH1A1MAPTHTTTSPO
SCHEMBL6315579 0.75 CXCR2 (0.44) CXCR2ALDH1A1MAPTKDM4ETSPO
SCHEMBL6315895 0.75 RAB7A (0.47) CXCR2ALDH1A1MAPTKDM4EHTT
SCHEMBL6314795 0.74 RAB7A (0.43) CXCR2ALDH1A1MAPTKDM4ERAB7A
SCHEMBL5838538 0.73 CXCR2 (0.37) CXCR2ALDH1A1MAPTKDM4EHTT
SCHEMBL5837398 0.73 CXCR2 (0.37) CXCR2ALDH1A1MAPTHTTTSPO
SCHEMBL5837383 0.72 CXCR2 (0.37) CXCR2ALDH1A1MAPTSMN1; SMN2HPGD

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