Emtricitabine

Emtricitabine

SCHEMBL5427218

Nc1nc(=O)n([C@@H]2CS[C@@H](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 SCHEMBL6903677 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515144-B1 1,3-Oxathiolanes useful in the treatment of hepatitis SHIRE BIOCHEM INC (CA) 2006-06-14 EP claimed
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2003-05-08 US claimed
US-5486520-A VIRICIDE BIOCHEMPHARMA, INC. (CA) 1996-01-23 US claimed
EP-0515144-A1 1,3-Oxathiolanes useful in the treatment of hepatitis BIOCHEM PHARMA INC. (CA) 1992-11-25 EP claimed
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-7122693-B2 Acetaldehyde acetal compounds, their synthesis, and uses thereof SHIRE BIOCHEM INC. (CA) 2006-10-17 US disclosed
US-7119202-B1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties GLAXO WELLCOME INC. (US) 2006-10-10 US disclosed
EP-0515144-B1 1,3-Oxathiolanes useful in the treatment of hepatitis SHIRE BIOCHEM INC (CA) 2006-06-14 EP disclosed
US-6903224-B2 Substituted 1,3-oxathiolanes BIOCHEM PHARMA INC. (CA) 2005-06-07 US disclosed
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties BELLEAU BERNARD (CA) 2004-12-16 US disclosed
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2003-05-08 US disclosed
US-6350753-B1 2-ACETOXYMETHYL-4-(THYMIN-1'-YL)-1,3,-DIOXOLANE; 2-BENZOYLOXYMETHYL-4-(CYTOSIN-1'-YL)-1,3-DIOXOLANE; ANTIVIRAL AGENTS, PARTICULARY FOR THE TREATMENT OF THE HIV INFECTIONS IN MAMMALS, ESPECIALLY HUMANS BIOCHEM PHARMA INC. (CA) 2002-02-26 US disclosed
JP-2001226268-A 1,3-OXATHIOLANE USEFUL FOR TREATMENT OF HEPATITIS BIOCHEM PHARMA INC 2001-08-21 JP disclosed
US-5486520-A VIRICIDE BIOCHEMPHARMA, INC. (CA) 1996-01-23 US disclosed
EP-0515144-A1 1,3-Oxathiolanes useful in the treatment of hepatitis BIOCHEM PHARMA INC. (CA) 1992-11-25 EP 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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG ALB 1678/4885POLG 312/4885LMNA 4245/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG ALB 1877/4885POLG 300/4885LMNA 4227/4885
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties IFNAR1, ZC3HAV1, NUDT1 ALB 2629/4885POLG 170/4885LMNA 3528/4885
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties IFNAR1, ZC3HAV1, MAVS ALB 2403/4885POLG 151/4885LMNA 3612/4885

“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.