SCHEMBL4373149

SCHEMBL4373149

Nc1nc(=O)n([C@H]2CS[C@@H](COP(=O)(O)O)O2)cc1F

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.82
ALB P02768 3/20 0.71
CACNA1F O60840 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
PDE3A Q14432 2/20 0.45
CA5A P35218 1/20 0.38
POLB P06746 1/20 0.35
TYMS P04818 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
Emtricitabine 5'-Triphosphate SCHEMBL14354587 0.90 POLG (1.00) POLGALBCACNA1FLMNAMAPT
Emtricitabine 5'-Triphosphate SCHEMBL30480833 0.90 POLG (1.00) POLGALBCACNA1FLMNAMAPT
Emtricitabine 5'-Triphosphate SCHEMBL606449 0.90 POLG (1.00) POLGALBCACNA1FLMNAMAPT
Emtricitabine SCHEMBL2152774 0.86 ALB (0.91) POLGALBCACNA1FLMNAMAPT
Emtricitabine SCHEMBL15532100 0.86 ALB (0.91) POLGALBCACNA1FLMNAMAPT
SCHEMBL25520823 0.85 ALB (0.73) POLGALBCACNA1FLMNAMAPT
SCHEMBL15788452 0.85 ALB (0.73) POLGALBCACNA1FLMNAMAPT
SCHEMBL15788418 0.85 ALB (0.73) POLGALBCACNA1FLMNAMAPT
SCHEMBL15259218 0.85 ALB (0.73) POLGALBCACNA1FLMNAMAPT
Emtricitabine SCHEMBL39708 0.83 ALB (1.00) POLGALBCACNA1FLMNAMAPT

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
EP-1155695-B1 Use of a 1,3 oxathiolane nucleoside analogue in the manufacture of a medicament for specific administration SHIRE CANADA INC (CA) 2009-11-18 EP disclosed
EP-0526253-B1 1,3-Oxathiolane nucleoside analogues SHIRE BIOCHEM INC (CA) 2002-11-13 EP disclosed
EP-1155695-A1 1,3 oxathiolane nucleoside analogues BIOCHEM PHARMA INC (CA) 2001-11-21 EP disclosed
US-5618820-A (-)CIS-4-AMINO-5-FLUORO-1-(2-HYDROXYMETHYL-1,3-OXATHIOLAN-5 YL-(1H)-PYRIMIDINE-2-ONE OR SALT OR ESTER; ADMINISTERING TO TREAT VIRAL INFECTION IN A MAMMAL BIOCHEM PHARMA, INC. (CA) 1997-04-08 US disclosed
US-5538975-A (-)-4-AMINO-5-FLUORO-1-(2-HYDROXYMETHYL-1,3-OXATHIOLAN-5YL) -(1H)-PYRIMIDIN-2-ONE AND DERIVATIVES; ANTIVIRAL AGENT BIOCHEM PHARMA, INC. (CA) 1996-07-23 US disclosed
WO-1993003027-A1 1,3-OXATHIOLANE NUCLEOSIDE ANALOGUES BIOCHEM PHARMA INC. (CA) 1993-02-18 WO disclosed
EP-0526253-A1 1,3-Oxathiolane nucleoside analogues BIOCHEM PHARMA INC. (CA) 1993-02-03 EP disclosed