SCHEMBL13030116

SCHEMBL13030116

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(Cl)nc(N)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ STING1 Q86WV6 8/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SLC29A1 Q99808 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RAPGEF3 O95398 2/20 0.40
▸ GMNN O75496 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5963100 0.91 STING1 (0.47) NT5ESTING1SLC29A1LMNARAPGEF3
SCHEMBL10238968 0.88 SLC29A1 (0.39) STING1PDE3BPDE3ASLC29A1LMNA
SCHEMBL22216550 0.88 ADORA3 (0.54) NT5EPDE4DPDE3ALMNARXFP1
SCHEMBL19961896 0.88 ADORA3 (0.54) NT5EPDE4DPDE3ALMNARXFP1
SCHEMBL4757808 0.88 ADORA3 (0.54) NT5EPDE4DPDE3ALMNARXFP1
SCHEMBL15763461 0.87 SLC29A1 (0.39) NT5ESTING1PDE3BPDE3ASLC29A1
SCHEMBL13030114 0.87 ACHE (0.48) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL1801703 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL29792990 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL17889822 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 — — US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 — — US disclosed
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 — — US disclosed
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 — — US disclosed
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES GILEAD PHARMASSET LLC (US) 2012-12-13 — — US disclosed
US-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-11-04 — — 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-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP NT5E 64/4885PDE4A 271/4885PDE4B 317/4885
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP NT5E 64/4885PDE4A 271/4885PDE4B 317/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP NT5E 29/4885PDE4A 1237/4885PDE4B 866/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP NT5E 29/4885PDE4A 1237/4885PDE4B 866/4885

“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.

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