SCHEMBL5838560

SCHEMBL5838560

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C(=O)N1Cc3cccc(Cl)c3C1=O)OC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSPO P30536 1/20 0.33
RAB7A P51149 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TP53 P04637 1/20 0.32
NT5E P21589 1/20 0.31
CXCR4 P61073 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5838623 0.92 CXCR2 (0.38) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838246 0.90 CXCR2 (0.39) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5837829 0.88 CXCR2 (0.36) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6314287 0.88 CXCR2 (0.41) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6316317 0.86 CXCR2 (0.35) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838591 0.86 ALDH1A1 (0.38) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838694 0.86 GRM6 (0.33) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5837739 0.85 CXCR2 (0.34) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5838257 0.84 CXCR2 (0.39) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5836667 0.83 CXCR2 (0.36) CXCR2ALDH1A1LMNAMAPTSMN1; SMN2

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 7 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-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 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
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed