SCHEMBL18502993

SCHEMBL18502993

C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(Cl)Cl

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.79
CYP2D6 P10635 14/20 0.64
FAP Q12884 1/20 0.63
ADORA2A P29274 1/20 0.57
ADORA1 P30542 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
SCHEMBL20302999 1.00 CYP3A4 (0.79) CYP3A4CYP2D6FAPADORA2AADORA1
Hydrochloric Acid SCHEMBL18492161 0.99 CYP3A4 (0.77) CYP3A4CYP2D6FAPADORA2AADORA1
Hydrochloric Acid SCHEMBL19603088 0.99 CYP3A4 (0.77) CYP3A4CYP2D6FAPADORA2AADORA1
SCHEMBL23932602 0.91 CYP3A4 (0.83) CYP3A4CYP2D6FAP
SCHEMBL23932601 0.91 CYP3A4 (0.83) CYP3A4CYP2D6FAP
SCHEMBL19370589 0.89 CYP3A4 (0.72) CYP3A4CYP2D6FAP
Tenofovir Anhydrous SCHEMBL497725 0.88 CYP3A4 (1.00) CYP3A4CYP2D6FAP
Tenofovir Anhydrous SCHEMBL39724 0.88 CYP3A4 (1.00) CYP3A4CYP2D6FAP
Tenofovir Anhydrous SCHEMBL2040329 0.88 CYP3A4 (1.00) CYP3A4CYP2D6FAP
Tenofovir Anhydrous SCHEMBL18894359 0.88 CYP3A4 (1.00) CYP3A4CYP2D6FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110308-B2 Phosphor(n)amidatacetal and phosph(on)atalcetal compounds NUCORION PHARMACEUTICALS, INC. (US) 2024-10-08 US disclosed
EP-4335496-A2 PHOSPHOR(N)AMIDATACETAL AND PHOSPH(ON)ATALCETAL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2024-03-13 EP disclosed
EP-3334743-B1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2023-11-29 EP disclosed
US-11826375-B2 Phosphinic amide prodrugs of tenofovir MERCK SHARP & DOHME LLC (US) 2023-11-28 US disclosed
US-11826375-B2 Phosphinic amide prodrugs of tenofovir MERCK SHARP & DOHME LLC (US) 2023-11-28 US disclosed
US-11123355-B2 Antiviral benzyl-amine phosphodiamide compounds IDENIX PHARMACEUTICALS LLC (US) 2021-09-21 US disclosed
US-20210188887-A1 PHOSPHOR(N)AMIDATACETAL AND PHOSPH(ON)ATALCETAL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2021-06-24 US disclosed
EP-3752511-A1 PHOSPHOR(N)AMIDATACETAL AND PHOSPH(ON)ATALCETAL COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2020-12-23 EP disclosed
WO-2020018399-A1 PHOSPHINIC AMIDE PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME CORP. (US) 2020-01-23 WO disclosed
EP-3558322-A1 ANTIVIRAL BENZYL-AMINE PHOSPHODIAMIDE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
WO-2018118826-A1 ANTIVIRAL BENZYL-AMINE PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
US-20180065999-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-20180065999-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9822138-B2 Antiviral beta-amino acid ester phosphodiamide compounds MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-9822138-B2 Antiviral beta-amino acid ester phosphodiamide compounds MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
CN-105814068-B Substituted phosphoramidate derivative, preparation method and application thereof 四川海思科制药有限公司 2017-08-04 CN disclosed
US-20170044192-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20170044192-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2017027434-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
CN-105814068-A Substituted phosphoramidate derivative, preparation method and application thereof 四川海思科制药有限公司 2016-07-27 CN 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 (6 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-20170044192-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS POLD1, PEPD, TYMP CYP3A4 2362/4885CYP2D6 3903/4885FAP 870/4885
US-11123355-B2 Antiviral benzyl-amine phosphodiamide compounds TYMP, PNP, POLI CYP3A4 2278/4885CYP2D6 3727/4885FAP 2312/4885
US-12110308-B2 Phosphor(n)amidatacetal and phosph(on)atalcetal compounds PYGL, MTMR1, PTEN CYP3A4 4189/4885CYP2D6 4779/4885FAP 501/4885
US-20210188887-A1 PHOSPHOR(N)AMIDATACETAL AND PHOSPH(ON)ATALCETAL COMPOUNDS PYGL, MTMR1, PTEN CYP3A4 4062/4885CYP2D6 4623/4885FAP 710/4885
US-20180065999-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS POLD1, PEPD, TYMP CYP3A4 2362/4885CYP2D6 3903/4885FAP 870/4885
US-11826375-B2 Phosphinic amide prodrugs of tenofovir TYMP, PPA1, PNP CYP3A4 1743/4885CYP2D6 2129/4885FAP 436/4885

“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.