SCHEMBL5837677

SCHEMBL5837677

CC(C)(C)OC(=O)c1c(NC(=O)OCc2ccccc2)sc2c1CC(CN)NC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.46
CXCR4 P61073 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSPO P30536 1/20 0.38
NT5E P21589 1/20 0.37
PDE4D Q08499 1/20 0.37
CNR2 P34972 2/20 0.36
SYK P43405 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL6050010 1.00 CXCR2 (0.46) CXCR2CXCR4SMN1; SMN2ALDH1A1LMNA
SCHEMBL6049954 0.86 CXCR2 (0.42) CXCR2CXCR4SMN1; SMN2ALDH1A1LMNA
SCHEMBL5837758 0.86 CXCR2 (0.42) CXCR2CXCR4SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5837753 0.85 CXCR2 (0.41) CXCR2CXCR4SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5837761 0.78 CXCR2 (0.39) CXCR2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7521094 0.73 PTPN1 (0.45)
SCHEMBL21597786 0.72 CA1 (0.49) CXCR2ALDH1A1MAPTPDE4DCNR2
SCHEMBL28617426 0.72 CA1 (0.49) CXCR2ALDH1A1MAPTPDE4DCNR2
SCHEMBL5838331 0.72 NT5E (0.38) CXCR2NPSR1NT5EPDE4DRAB9A
SCHEMBL6049849 0.72 NT5E (0.38) CXCR2NPSR1NT5EPDE4DRAB9A

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