SCHEMBL3672191

SCHEMBL3672191

CC(C)OC(=O)OC(OC(=O)OC(C)C)OP(=O)(O)COC(C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.70
CYP3A4 P08684 15/20 0.70
CYP2D6 P10635 14/20 0.63

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
Fumaric Acid SCHEMBL4212549 0.95 FAP (0.72) FAPCYP3A4CYP2D6
SCHEMBL969657 0.89 FAP (0.69) FAPCYP3A4CYP2D6
SCHEMBL28395512 0.87 FAP (0.85) FAPCYP3A4CYP2D6
SCHEMBL29402746 0.87 FAP (0.85) FAPCYP3A4CYP2D6
SCHEMBL14507066 0.87 FAP (0.85) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL2670558 0.85 FAP (0.71) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL28393645 0.84 FAP (0.70) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL29389347 0.84 FAP (0.70) FAPCYP3A4CYP2D6
SCHEMBL24809662 0.83 CYP3A4 (0.80) FAPCYP3A4CYP2D6
SCHEMBL14440381 0.83 CYP3A4 (0.80) FAPCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366795-A1 TOPICAL ANTIVIRAL FORMULATIONS GILEAD SCIENCES, INC. 2015-12-24 US claimed
EP-2138162-A2 GEL COMPRISING TENOFOVIR OR TENOFOVIR DISOPROXIL Gilead Sciences, Inc. (US) 2009-12-30 EP claimed
EP-2138163-A2 SUPPOSITORY FORMULATIONS COMPRISING TENOFOVIR OR TENOFOVIR DISOPROXIL GILEAD SCIENCES, INC. (US) 2009-12-30 EP claimed
US-20080035155-A1 Topical Antiviral Formulations GILEAD SCIENCES, INC. (US) 2008-02-14 US claimed
US-20060058265-A1 Topical antiviral formulations GILEAD SCIENCES, INC. 2006-03-16 US claimed
CN-110372750-B Synthesis method of tenofovir disoproxil fumarate impurity 苏利制药科技江阴有限公司 2021-12-24 CN disclosed
US-20170273994-A1 Compositions and Methods for Combination Antiviral Therapy GILEAD SCIENCES, INC. 2017-09-28 US disclosed
US-20170273994-A1 Compositions and Methods for Combination Antiviral Therapy GILEAD SCIENCES, INC. 2017-09-28 US disclosed
US-9744181-B2 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. (US) 2017-08-29 US disclosed
US-9744181-B2 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. (US) 2017-08-29 US disclosed
US-20170232019-A1 Compositions and Methods for Combination Antiviral Therapy GILEAD SCIENCES INC (US) 2017-08-17 US disclosed
US-20170232019-A1 Compositions and Methods for Combination Antiviral Therapy GILEAD SCIENCES INC (US) 2017-08-17 US disclosed
CN-1738628-A Compositions and methods for combination antiviral therapy GILEAD SCIENCES INC (US) 2006-02-22 CN disclosed
EP-1583542-A1 COMPOSITIONS AND METHODS FOR COMBINATION ANTIVIRAL THERAPY GILEAD SCIENCES, INC. (US) 2005-10-12 EP disclosed
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. 2005-09-08 US disclosed
US-20040224916-A1 Administering combination comprising 9-[R-2-[[(S)-[[(S)-1-(isopropoxycarbonyl)ethyl]amino]-phenoxyphosphinyl]methoxy]propyl]adenine (GS-7340) or a physiologically functional derivative thereof, 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
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
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
WO-2004064845-A8 COMPOSITIONS AND METHODS FOR COMBINATION ANTIVIRAL THERAPY GILEAD SCIENCES INC (US) 2004-09-23 WO disclosed
WO-2004064845-A1 COMPOSITIONS AND METHODS FOR COMBINATION ANTIVIRAL THERAPY GILEAD SCIENCES, INC. (US) 2004-08-05 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 (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-20040224916-A1 Administering combination comprising 9-[R-2-[[(S)-[[(S)-1-(isopropoxycarbonyl)ethyl]amino]-phenoxyphosphinyl]methoxy]propyl]adenine (GS-7340) or a physiologically functional derivative thereof, and (2R,5S,cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) MTAP, TYMP, TYMS FAP 1649/4885CYP3A4 337/4885CYP2D6 1163/4885
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 FAP 291/4885CYP3A4 471/4885CYP2D6 545/4885
US-20060058265-A1 Topical antiviral formulations PNP, TYMP, NT5C2 FAP 1035/4885CYP3A4 2475/4885CYP2D6 737/4885
US-20170273994-A1 Compositions and Methods for Combination Antiviral Therapy DCTD, TYMP, MTAP FAP 422/4885CYP3A4 213/4885CYP2D6 233/4885
US-20150366795-A1 TOPICAL ANTIVIRAL FORMULATIONS PNP, TYMP, NT5C2 FAP 1035/4885CYP3A4 2475/4885CYP2D6 737/4885
US-20080035155-A1 Topical Antiviral Formulations PNP, TYMP, TK1 FAP 1151/4885CYP3A4 3344/4885CYP2D6 1239/4885
US-20170232019-A1 Compositions and Methods for Combination Antiviral Therapy DCTD, TYMP, MTAP FAP 422/4885CYP3A4 213/4885CYP2D6 233/4885
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA FAP 365/4885CYP3A4 2125/4885CYP2D6 2446/4885

“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.