SCHEMBL532674

SCHEMBL532674

COc1ccc(C(Nc2ncnc3c2ncn3[C@H]2C[C@@H](O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.58
ADORA1 P30542 1/20 0.43
HIF1A Q16665 1/20 0.42
SLC29A1 Q99808 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL2239678 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL4826069 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL6905301 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL22367653 0.94 TYMP (0.65) TYMPHIF1ASLC29A1ADORA3
SCHEMBL532504 0.91 HIF1A (0.53) ADORA1HIF1ASLC29A1PRKAG1PRKAA1
SCHEMBL18486296 0.89 TYMP (0.56) TYMPSLC29A1ADORA3
SCHEMBL14208930 0.89 TYMP (0.45) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL22984001 0.89 TYMP (0.58) TYMP
SCHEMBL3824088 0.89 TYMP (0.58) TYMP
SCHEMBL21044306 0.89 TYMP (0.58) TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415776-B1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B NOVARTIS AG (CH) 2016-05-25 EP disclosed
US-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-1431304-B1 Beta - L-2'-Deoxy-Nucleosides for the treatment of Hepatitis B NOVARTIS AG (CH) 2014-12-03 EP disclosed
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2013-12-05 US disclosed
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
EP-2415776-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
US-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B IDENIX PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110195922-A9 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2011-08-11 US disclosed
US-7795238-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20080188440-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-6787526-B1 AND INTERFERON IDENIX PHARMACEUTICALS, INC. 2004-09-07 US disclosed
EP-1431304-A2 Beta - L-2'-Deoxy-Nucleosides for the treatment of Hepatitis B Idenix (Cayman) Limited (KY) 2004-06-23 EP disclosed
US-20030225028-A1 2'-deoxy-beta-L-erythropentofuranonucleoside or a salt or prodrug thereof GOSSELIN GILLES (FR) 2003-12-04 US disclosed
US-20030220290-A1 Beta-L-2'-deoxy-nucleosides for the treatment of hepatitis B CENTRE NATIONAL DA LA RESERCHE SCIENTIFIQUE 2003-11-27 US disclosed
US-6596700-B2 Administering a 2'-deoxy-beta-L-erythro-pentofuranonucleoside or a pharmaceutically acceptable salt or prodrug thereof IDENIX PHARMACEUTICALS INC. 2003-07-22 US disclosed
US-6569837-B1 Administering 2'-deoxy-beta-L-erythro-pentofuranonucleoside alone or with another anti-hepatitis B agent such as 3TC (beta-L-2-hydroxymethyl-5-(cytosin-1-yl)-1,3-oxathiolane); use of beta-l-thymidine (telbivudine) IDENIX PHARMACEUTICALS INC. 2003-05-27 US disclosed
US-6566344-B1 Administering beta-L-2'-deoxycytidine compound for therapy of hepatitis B virus infection IDENIX PHARMACEUTICALS, INC. 2003-05-20 US disclosed
US-6444652-B1 β-L-2'-deoxy-nucleosides for the treatment of hepatitis B NOVIRIO PHARMACEUTICALS LIMITED (CY) 2002-09-03 US disclosed
US-6395716-B1 Antivirals such as telbivudine NOVIRIO PHARMACEUTICALS LIMITED (KY) 2002-05-28 US disclosed
US-20020035085-A1 Administering a 2'-deoxy-beta-L-erythro-pentofuranonucleoside or a pharmaceutically acceptable salt or prodrug thereof NOVARTIS AG (CH) 2002-03-21 US disclosed

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

For each of this compound's patents that has machine-readable text (8 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-20110257120-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC TYMP 9/4885ADORA1 282/4885HIF1A 3597/4885
US-20020035085-A1 Administering a 2'-deoxy-beta-L-erythro-pentofuranonucleoside or a pharmaceutically acceptable salt or prodrug thereof DCTD, DUT, DPYD TYMP 4/4885ADORA1 536/4885HIF1A 2677/4885
US-20030225028-A1 2'-deoxy-beta-L-erythropentofuranonucleoside or a salt or prodrug thereof ATIC, DUT, GART TYMP 7/4885ADORA1 312/4885HIF1A 3506/4885
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC TYMP 9/4885ADORA1 282/4885HIF1A 3597/4885
US-20080188440-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC TYMP 9/4885ADORA1 282/4885HIF1A 3597/4885
US-20110195922-A9 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC TYMP 9/4885ADORA1 282/4885HIF1A 3597/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC TYMP 9/4885ADORA1 282/4885HIF1A 3597/4885
US-20030220290-A1 Beta-L-2'-deoxy-nucleosides for the treatment of hepatitis B DUT, PNP, ATIC TYMP 7/4885ADORA1 280/4885HIF1A 3413/4885

“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.