Emtricitabine

Emtricitabine

SCHEMBL6903677

Nc1nc(=O)n([C@@H]2CSC(CO)O2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

pol

The experimentally established mechanism targets of Emtricitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 1.00
POLG P54098 2/20 0.64
LMNA P02545 3/20 0.63
CACNA1F O60840 2/20 0.63
MAPT P10636 2/20 0.63
CACNA1D Q01668 2/20 0.63
CACNA1S Q13698 2/20 0.63
CACNA1C Q13936 2/20 0.63
PDE3A Q14432 2/20 0.63
DCK P27707 7/20 0.36
DNMT1 P26358 5/20 0.36
ADRB1 P08588 1/20 0.36
DNMT3B Q9UBC3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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, (+/-)- SCHEMBL122131 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL267686 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL3230512 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL12202574 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL5427218 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL6362885 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL3722124 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL39708 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL22413085 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT
Emtricitabine SCHEMBL12662838 1.00 ALB (1.00) ALBPOLGLMNACACNA1FMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 US disclosed
US-20180105552-A1 NOVEL ANTIVIRAL COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND THEIR USE FOR TREATING VIRAL INFECTIONS KU LEUVEN RESEARCH & DEVELOPMENT (BE) 2018-04-19 US disclosed
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 US disclosed
EP-2322518-A1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
US-20040224917-A1 Administering combination of [2-(6-amino-purin-9-yl)-1-methyl-ethoxymethyl]-phosphonic acid diisopropoxycarbonyloxymethyl ester fumarate (tenofovir disoproxil fumarate) and (2R, 5S, cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) GILEAD SCIENCES, INC. 2004-11-11 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 (4 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP ALB 1696/4885POLG 448/4885LMNA 2417/4885
US-20040224917-A1 Administering combination of [2-(6-amino-purin-9-yl)-1-methyl-ethoxymethyl]-phosphonic acid diisopropoxycarbonyloxymethyl ester fumarate (tenofovir disoproxil fumarate) and (2R, 5S, cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) DCTD, MTAP, TYMP ALB 2324/4885POLG 647/4885LMNA 3743/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 ALB 2686/4885POLG 788/4885LMNA 1285/4885
US-20180105552-A1 NOVEL ANTIVIRAL COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND THEIR USE FOR TREATING VIRAL INFECTIONS TYMP, MTAP, PNP ALB 4022/4885POLG 843/4885LMNA 1087/4885

“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.