SCHEMBL5837829

SCHEMBL5837829

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C(=O)N1Cc3cccc([N+](=O)[O-])c3C1=O)OC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.36
PDE4B Q07343 4/20 0.34
PDE4D Q08499 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TSPO P30536 1/20 0.32
RAB7A P51149 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 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 0.89 CXCR2 (0.38) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5838560 0.88 CXCR2 (0.37) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5838246 0.88 CXCR2 (0.39) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5838665 0.87 ADORA1 (0.33) PDE4BPDE4DMAPT
SCHEMBL6314287 0.85 CXCR2 (0.41) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5837750 0.84 GABRA1 (0.35) CXCR2PDE4BSMN1; SMN2ALDH1A1LMNA
SCHEMBL5838591 0.84 ALDH1A1 (0.38) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5838257 0.81 CXCR2 (0.39) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5836667 0.80 CXCR2 (0.36) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6315579 0.80 CXCR2 (0.44) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT

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 3 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