SCHEMBL25912317

SCHEMBL25912317

CCCC(=O)Nc1ncnn2c([C@]3(C)O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.38
▸ IARS1 P41252 1/20 0.34
▸ TSHR P16473 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 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
SCHEMBL25913910 0.95 TMPRSS2 (0.37) TMPRSS2IARS1
SCHEMBL25912349 0.92 TMPRSS2 (0.38) TMPRSS2TSHR
SCHEMBL25912244 0.90 TMPRSS2 (0.40) TMPRSS2IARS1SLC5A1SLC5A2
SCHEMBL25914080 0.90 TMPRSS2 (0.33) TMPRSS2TSHR
SCHEMBL24917171 0.89 TMPRSS2 (0.39) TMPRSS2TSHR
SCHEMBL25925531 0.88 TMPRSS2 (0.37) TMPRSS2TSHR
SCHEMBL24917266 0.88 TMPRSS2 (0.36) TMPRSS2IARS1
SCHEMBL25317394 0.88 TMPRSS2 (0.52) TMPRSS2IARS1
SCHEMBL24789434 0.88 TMPRSS2 (0.52) TMPRSS2IARS1
SCHEMBL25912345 0.88 TMPRSS2 (0.39) TMPRSS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 — — US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 — — 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 (2 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-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP TMPRSS2 100/4885IARS1 1159/4885TSHR 4711/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885IARS1 1159/4885TSHR 4711/4885

“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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