SCHEMBL10142406

SCHEMBL10142406

CC(C)OC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ccnn23)[C@](C)(O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ TMPRSS2 O15393 1/20 0.30

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
SCHEMBL10142369 0.91 — —
SCHEMBL10142355 0.91 — —
SCHEMBL10142778 0.91 TMPRSS2 (0.34) CYP3A4CYP2C9TMPRSS2
SCHEMBL10142374 0.89 CYP3A4 (0.46) CYP3A4CYP2C9
SCHEMBL12393208 0.86 — —
SCHEMBL10142377 0.84 CYP3A4 (0.41) CYP3A4CYP2C9
SCHEMBL10142407 0.83 TMPRSS2 (0.34) TMPRSS2
SCHEMBL10142382 0.83 CYP3A4 (0.40) CYP3A4CYP2C9
SCHEMBL10142363 0.82 — —
SCHEMBL10142784 0.82 TMPRSS2 (0.31) TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415308-B2 1′-substituted-carba-nucleoside prodrugs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-04-09 — — US disclosed
US-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-26 — — 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 (1 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-20120020921-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP CYP3A4 373/4885CYP2C9 1163/4885TMPRSS2 2225/4885

“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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