SCHEMBL26546004

SCHEMBL26546004

CCCC(=O)Nc1ncnn2c([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC#N)ccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL26214112 0.78 — —
SCHEMBL26316679 0.76 RIPK1 (0.31) —
SCHEMBL25013997 0.73 — —
SCHEMBL24312610 0.73 TDP1 (0.32) —
SCHEMBL25013430 0.72 RIPK1 (0.30) —
SCHEMBL26545444 0.72 TSHR (0.44) TSHRADORA1
SCHEMBL26398624 0.71 — —
SCHEMBL24916943 0.70 — —
SCHEMBL26317664 0.69 RIPK1 (0.33) —
SCHEMBL26317120 0.68 RIPK1 (0.31) —

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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — 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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT TSHR 4522/4885ADORA2A 2556/4885ADORA1 3064/4885

“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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