SCHEMBL25013587

SCHEMBL25013587

C[C@H](NP(=O)(OC[C@H]1OC(C#N)(c2ccc3c(N)ncnn23)C[C@@H]1O)Oc1ccc(C(C)(C)C)cc1)C(=O)OC1CC2(CCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL25012863 0.93 — —
SCHEMBL25013598 0.91 — —
SCHEMBL30269851 0.90 TMPRSS2 (0.38) DOT1L
SCHEMBL25012840 0.89 TMPRSS2 (0.38) DOT1L
SCHEMBL25014032 0.89 DOT1L (0.31) DOT1L
SCHEMBL25013578 0.88 DOT1L (0.31) DOT1L
SCHEMBL30269917 0.87 TMPRSS2 (0.31) —
SCHEMBL30269841 0.87 TMPRSS2 (0.31) —
SCHEMBL30491114 0.87 TMPRSS2 (0.31) —
SCHEMBL25012930 0.87 DOT1L (0.32) DOT1LCYP3A4CYP2C9

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 DOT1L 3182/4885CYP3A4 1932/4885CYP2C9 2637/4885

“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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