SCHEMBL2275000

SCHEMBL2275000

Nc1nc2c(ncn2[C@@H]2O[C@H](COC3CCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.66
NT5E P21589 1/20 0.66
GSK3A P49840 2/20 0.62
RPS6KA3 P51812 2/20 0.62
MAPK14 Q16539 2/20 0.62
PNP P00491 1/20 0.62
ADORA3 P0DMS8 2/20 0.62
TGM2 P21980 1/20 0.61
KRAS P01116 6/20 0.59
FUT5 Q11128 1/20 0.57

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
SCHEMBL599196 0.96 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL18520136 0.87 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3514472 0.86 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3970953 0.86 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL17355882 0.86 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL27575151 0.86 HINT1 (0.74) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2014087 0.85 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.85 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.85 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7111080 0.85 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432966-B1 None US disclosed
CN-113960201-A Method for detecting 4-dimethylaminopyridine in entecavir 山东鲁抗医药股份有限公司 2022-01-21 CN disclosed
CN-213762193-U Entecavir preparation is with high-efficient jet milling equipment 山东海雅医药科技有限公司 2021-07-23 CN disclosed
CN-112007040-A Combined medicine for treating viral hepatitis B 苏州瑞博生物技术股份有限公司 2020-12-01 CN disclosed
CN-107764891-B Method for distinguishing and measuring entecavir chiral isomers 杭州先导医药科技有限责任公司 2020-03-13 CN disclosed
EP-2536724-B2 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES SCINOPHARM TAIWAN LTD (TW) 2019-10-23 EP disclosed
US-20180044735-A1 METHOD OF TREATING HEPATITIS B ACADEMISCH MEDISCH CENTRUM (NL) 2018-02-15 US disclosed
EP-2828401-B1 MEANS AND METHODS FOR RESPONSE PREDICTION OF HEPATITIS B TREATMENT ACAD MEDISCH CT (NL) 2017-10-25 EP disclosed
EP-2536724-B1 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES SCINOPHARM TAIWAN LTD (TW) 2016-11-23 EP disclosed
US-20150044167-A1 Means and Method for Response Prediction of Hepatitis B Treatment ACADEMISCH MEDISCH CENTRUM (NL) 2015-02-12 US disclosed
WO-2011102806-A1 PROCESS FOR PREPARING ENTECAVIR AND ITS INTERMEDIATES SCINOPHARM TAIWAN LTD (TW) 2011-08-25 WO disclosed
US-20110201809-A1 Process for Preparing Entecavir and its Intermediates SCINOPHARM TAIWAN, LTD. 2011-08-18 US disclosed
US-20080300222-A1 Phosphoantigen Salts Of Organic Bases And Methods For Their Crystallization INNATE PHARMA (FR) 2008-12-04 US disclosed
EP-1933848-A2 PHOSPHOANTIGEN SALTS OF ORGANIC BASES AND METHODS FOR THEIR CRYSTALLIZATION Innate Pharma (FR) 2008-06-25 EP disclosed
WO-2007039635-A2 PHOSPHOANTIGEN SALTS OF ORGANIC BASES AND METHODS FOR THEIR CRYSTALLIZATION INNATE PHARMA (FR) 2007-04-12 WO disclosed
EP-1225904-B1 COMBINATIONS OF LAMIVUDINE AND ENTECAVIR FOR TREATMENT OF HEPATITIS B VIRUS INFECTION GLAXO GROUP LTD (GB) 2004-08-11 EP disclosed
US-6432966-B2 A SYNERGISTIC MIXTURE OF LAMIVUDINE AND BMS-200475 FOR THE TREATMENT OF A HEPITITIS B VIRAL INFECTION; EFFECTIVE AGAINST MUTANTS RESISTANT TO NUCLEOSIDE AND/OR NON-NUCLEOSIDE INHIBITORS OF THE REPLICATION OF THE HBV SMITHKLINE BEECHAM CORPORATION 2002-08-13 US disclosed
EP-1225904-A2 COMBINATIONS OF LAMIVUDINE AND ENTECAVIR FOR TREATMENT OF HEPATITIS B VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2002-07-31 EP disclosed
US-20020002180-A1 ANTIVIRAL COMBINATIONS SMITHKLINE BEECHAM CORPORATION 2002-01-03 US disclosed
WO-2001030329-A2 COMBINATIONS OF LAMIVUDINE AND ENTECAVIR FOR TREATMENT OF HEPATITIS B VIRUS INFUCTION GLAXO GROUP LIMITED (GB) 2001-05-03 WO 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 (3 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-20110201809-A1 Process for Preparing Entecavir and its Intermediates ENTPD5, TYMS, TYMP HINT1 647/4885NT5E 234/4885GSK3A 1718/4885
US-20080300222-A1 Phosphoantigen Salts Of Organic Bases And Methods For Their Crystallization HLA-B, LCK, HLA-A HINT1 2909/4885NT5E 2895/4885GSK3A 133/4885
US-20020002180-A1 ANTIVIRAL COMBINATIONS HAVCR2, TYMP, ENTPD5 HINT1 473/4885NT5E 86/4885GSK3A 328/4885

“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.