SCHEMBL25012534

SCHEMBL25012534

CC(C)C(=O)O[C@H]([C@@H](COP(=O)(N[C@@H](C)C(=O)OCCC(C)(C)C)Oc1ccccc1)OC#N)[C@@H](OC(=O)C(C)C)c1ccc2c(N)ncnn12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL25013583 0.89 DOT1L (0.30) —
SCHEMBL25012531 0.87 BTN3A1 (0.33) BTN3A1
SCHEMBL25012875 0.87 CYP3A4 (0.31) BTN3A1
SCHEMBL25012948 0.84 BTN3A1 (0.33) BTN3A1
SCHEMBL25013466 0.83 BTN3A1 (0.30) BTN3A1
SCHEMBL25014030 0.83 DOT1L (0.32) —
SCHEMBL25012664 0.82 — —
SCHEMBL25013464 0.82 DOT1L (0.31) BTN3A1
SCHEMBL25511597 0.82 BTN3A1 (0.35) BTN3A1RIPK1
SCHEMBL20078704 0.82 BTN3A1 (0.35) BTN3A1RIPK1

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 3427/4885RIPK1 4480/4885

“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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