SCHEMBL25012893

SCHEMBL25012893

CCC(C)(C)CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1C[C@@H](OC(C)=O)[C@](C#N)(c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.32

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
SCHEMBL25013589 0.95 BTN3A1 (0.31) BTN3A1
SCHEMBL25012629 0.88 CYP3A4 (0.33) BTN3A1
SCHEMBL24148988 0.87 TMPRSS2 (0.39) BTN3A1
SCHEMBL25012545 0.86 BTN3A1 (0.33) BTN3A1
SCHEMBL24148946 0.85 CYP3A4 (0.32) BTN3A1
SCHEMBL30491112 0.84 CYP3A4 (0.31) BTN3A1
SCHEMBL10154106 0.83 CYP3A4 (0.34) BTN3A1
SCHEMBL30269868 0.83 TMPRSS2 (0.31) —
SCHEMBL25012888 0.82 CYP3A4 (0.35) BTN3A1
SCHEMBL21283650 0.82 CYP3A4 (0.33) BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF TYMP, PNP, DUT BTN3A1 3427/4885

“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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