SCHEMBL5838449

SCHEMBL5838449

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C(=O)N1Cc3ccccc3C1=O)N(C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.39
CXCR4 P61073 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
NT5E P21589 1/20 0.35
TSPO P30536 1/20 0.34
UCHL1 P09936 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL5838939 0.89 CXCR2 (0.36) CXCR2CXCR4NT5ETSPOMAPT
SCHEMBL5838339 0.87 NT5E (0.37) CXCR2NT5EKDM4EALDH1A1HPGD
SCHEMBL5837716 0.85 GRM6 (0.38) CXCR2UCHL1KDM4ELMNAHTT
SCHEMBL5838102 0.85 PTPN1 (0.38) CXCR2NT5EALDH1A1L3MBTL1LMNA
SCHEMBL6314287 0.83 CXCR2 (0.41) CXCR2CXCR4PLA2G1BATG4BNT5E
SCHEMBL5837094 0.83 NT5E (0.40) CXCR2PLA2G1BATG4BNT5EALDH1A1
SCHEMBL5838518 0.83 CXCR2 (0.36) CXCR2CXCR4PLA2G1BATG4BNT5E
SCHEMBL6322122 0.79 RAB7A (0.42) CXCR2PLA2G1BATG4BTSPOKDM4E
SCHEMBL6316939 0.78 CXCR2 (0.39) CXCR2CXCR4PLA2G1BATG4BNT5E
SCHEMBL7483750 0.75 ADORA1 (0.40) KDM4EALDH1A1HPGDL3MBTL1LMNA

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