SCHEMBL10142333

SCHEMBL10142333

COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ccnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ BTN3A1 O00481 5/20 0.37

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
SCHEMBL10142317 1.00 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1
SCHEMBL15257115 0.96 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1
SCHEMBL10142322 0.96 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1
SCHEMBL10142329 0.96 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1
SCHEMBL10142330 0.93 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL10142340 0.93 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL10142339 0.93 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL10142918 0.93 CYP3A4 (0.35) CYP3A4CYP2C9BTN3A1
SCHEMBL10142377 0.92 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1
SCHEMBL10142738 0.91 BTN3A1 (0.36) CYP3A4CYP2C9BTN3A1

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 1163/4885BTN3A1 3871/4885

“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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