SCHEMBL339369

SCHEMBL339369

Nc1ccn([C@H]2C[C@H](S)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLG P54098 3/20 0.68
POLB P06746 1/20 0.62
P2RY2 P41231 10/20 0.60
P2RY4 P51582 6/20 0.60
P2RY6 Q15077 5/20 0.60
P2RY12 Q9H244 2/20 0.47

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
Deoxycytidine Triphosphate SCHEMBL12595481 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL18785037 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL12729518 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL1615548 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL29725285 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL23414482 0.89 POLG (0.69) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL42135 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL703664 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL29030090 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL27673667 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612093-B2 Compositions of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds in combination therapy UNITED THERAPEUTICS CORPORATION (US) 2009-11-03 US claimed
EP-1658846-A1 Substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections G.D. SEARLE & CO. (US) 2006-05-24 EP claimed
US-20060106065-A1 Methods of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D- glucuitol compounds in combination therapy JACOB GARY S 2006-05-18 US claimed
US-20060094671-A1 Compositions of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds in combination therapy UNITHER VIROLOGY, LLC 2006-05-04 US claimed
US-20050267153-A1 Use of N-substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections MUELLER RICHARD A 2005-12-01 US claimed
US-20050119310-A1 Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections PHARMACIA CORPORATION 2005-06-02 US claimed
EP-1007058-B1 USE OF (N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS SEARLE LLC (US) 2005-05-18 EP claimed
US-6747149-B2 ADMINISTERING VIRICIDES SUCH AS N-NONENYL GLUCOSAMINE, AND OPTIONALLY WITH MIXTURES OF NUCLEOSIDES, NUCLEOTIDES, IMMUNOMODULATORS OR IMMUNOSTIMULANTS FOR PROPHYLAXIS VIRAL DISEASES G. D. SEARLE & CO. 2004-06-08 US claimed
US-6689759-B1 COMBINED WITH NUCLEOSIDE AND/OR NUCLEOTIDE ANTIVIRAL AGENTS AND IMMUNOSTIMULANTS G. D. SEARLE & CO. 2004-02-10 US claimed
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants G.D. SEARLE & CO. 2003-11-27 US claimed
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections PHARMACIA CORPORATION 2003-10-16 US claimed
US-20030100532-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS UNITED THERAPEUTICS CORPORATION 2003-05-29 US claimed
US-6515028-B1 Used alone, or in combination with another antiviral agents selected from among nucleosides, nucleotides, immunomodulators, immunostimulants or various combinations of such other agents G.D. SEARLE & CO. 2003-02-04 US claimed
EP-1261339-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS Pharmacia Corporation (US) 2002-12-04 EP claimed
JP-2002502875-A 2002-01-29 JP claimed
WO-2001060366-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS PHARMACIA CORPORATION (US) 2001-08-23 WO claimed
EP-1061922-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-12-27 EP claimed
EP-1007058-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. Searle & Co. (US) 2000-06-14 EP claimed
WO-1999040916-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-08-19 WO claimed
WO-1998035685-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE AND CO. (US) 1998-08-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094671-A1 Compositions of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds in combination therapy HAVCR2, DERA, GALE POLG 823/4885POLB 1646/4885P2RY2 2083/4885
US-20030195229-A1 Glucamine salts for treating hepatitis virus infections UGGT1, GYS2, MGAT3 POLG 2016/4885POLB 1287/4885P2RY2 1702/4885
US-20030100532-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS HAVCR2, DERA, GALE POLG 827/4885POLB 1427/4885P2RY2 2334/4885
US-20050119310-A1 Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections HAVCR2, DERA, IMPDH1 POLG 949/4885POLB 1716/4885P2RY2 2692/4885
US-20050267153-A1 Use of N-substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections HAVCR2, DERA, IMPDH1 POLG 949/4885POLB 1716/4885P2RY2 2692/4885
US-20060106065-A1 Methods of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D- glucuitol compounds in combination therapy HAVCR2, DERA, UGGT1 POLG 1353/4885POLB 1995/4885P2RY2 1650/4885
US-20030220299-A1 Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants IMPDH1, HAVCR2, IMPDH2 POLG 890/4885POLB 626/4885P2RY2 889/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.