SCHEMBL26296443

SCHEMBL26296443

CC(C)C(N)C(=O)Nc1ncnn2c([C@@H]3O[C@](C#N)(COP(=O)(N[C@@H](C)C(=O)OC4CCCCC4)Oc4ccccc4)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.31
▸ POLRMT O00411 1/20 0.30
▸ BTN3A1 O00481 2/20 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
SCHEMBL26276342 1.00 TMPRSS2 (0.31) TMPRSS2POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26277302 1.00 TMPRSS2 (0.31) TMPRSS2POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26276338 0.94 BTN3A1 (0.31) TMPRSS2POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26277298 0.94 BTN3A1 (0.31) TMPRSS2POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26287391 0.91 CYP3A4 (0.33) POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26276332 0.90 CYP3A4 (0.31) TMPRSS2BTN3A1CYP3A4CYP2C9
SCHEMBL23802569 0.89 POLRMT (0.39) POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26276164 0.89 POLRMT (0.39) POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL23802570 0.89 POLRMT (0.39) POLRMTBTN3A1CYP3A4CYP2C9
SCHEMBL26276061 0.89 POLRMT (0.39) POLRMTBTN3A1CYP3A4CYP2C9

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-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 TMPRSS2 324/4885POLRMT 535/4885BTN3A1 4597/4885

“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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