SCHEMBL532525

SCHEMBL532525

Nc1ncnc2c1ncn2[C@H]1C[C@H](OC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.55
P2RX4 Q99571 2/20 0.55
P2RX2 Q9UBL9 2/20 0.55
ABCB1 P08183 1/20 0.52
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
ENPP1 P22413 2/20 0.51
STING1 Q86WV6 2/20 0.50
P2RX6 O15547 1/20 0.49
P2RX1 P51575 1/20 0.49
P2RX5 Q93086 1/20 0.49
P2RY11 Q96G91 1/20 0.49
P2RX7 Q99572 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
P2RY1 P47900 1/20 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
SCHEMBL532524 1.00 P2RX3 (0.55) P2RX3P2RX4P2RX2ABCB1GSK3A
SCHEMBL9335175 0.91 ABCB1 (0.53) P2RX3P2RX4P2RX2ABCB1GSK3A
SCHEMBL9335172 0.91 ABCB1 (0.53) P2RX3P2RX4P2RX2ABCB1GSK3A
SCHEMBL7882267 0.91 P2RX3 (0.54) P2RX3P2RX4P2RX2ENPP1STING1
SCHEMBL7882271 0.91 P2RX3 (0.54) P2RX3P2RX4P2RX2ENPP1STING1
SCHEMBL9193969 0.91 P2RX3 (0.54) P2RX3P2RX4P2RX2ENPP1STING1
SCHEMBL9193964 0.91 P2RX3 (0.54) P2RX3P2RX4P2RX2ENPP1STING1
SCHEMBL338780 0.89 POLB (0.60) P2RX3P2RX4P2RX2ABCB1GSK3A
SCHEMBL10393264 0.89 ABCB1 (0.49) P2RX3P2RX4P2RX2ABCB1GSK3A
SCHEMBL25717253 0.88 LMNA (0.46) P2RX3P2RX4P2RX2ABCB1GSK3A

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 27 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-20100152126-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2010-06-17 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 P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885
US-20020035085-A1 Administering a 2'-deoxy-beta-L-erythro-pentofuranonucleoside or a pharmaceutically acceptable salt or prodrug thereof DCTD, DUT, DPYD P2RX3 2900/4885P2RX4 3045/4885P2RX2 2568/4885
US-20030225028-A1 2'-deoxy-beta-L-erythropentofuranonucleoside or a salt or prodrug thereof ATIC, DUT, GART P2RX3 1836/4885P2RX4 2236/4885P2RX2 1538/4885
US-20100152126-A1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885
US-20130324491-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885
US-20110195922-A9 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885
US-20120264707-A1 BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HEPATITIS B PNP, DUT, ATIC P2RX3 1266/4885P2RX4 1776/4885P2RX2 959/4885
US-20030220290-A1 Beta-L-2'-deoxy-nucleosides for the treatment of hepatitis B DUT, PNP, ATIC P2RX3 1528/4885P2RX4 2004/4885P2RX2 1203/4885

“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.