SCHEMBL25912322

SCHEMBL25912322

CCCC(=O)Nc1ncnn2c([C@]3(C)O[C@H](COC(=O)CC4CCCCC4)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL24916888 0.96 TMPRSS2 (0.35) TMPRSS2TDP1GSK3BTSHRL3MBTL1
SCHEMBL25912345 0.89 TMPRSS2 (0.39) TMPRSS2TSHR
SCHEMBL24917229 0.88 TMPRSS2 (0.49) TMPRSS2TDP1GSK3B
SCHEMBL24917260 0.88 TMPRSS2 (0.34) TMPRSS2TDP1ALDH1A1
SCHEMBL25914654 0.88 — —
SCHEMBL24789734 0.87 TMPRSS2 (0.42) TMPRSS2TDP1L3MBTL1ALDH1A1
SCHEMBL25914041 0.87 TMPRSS2 (0.38) TMPRSS2TSHR
SCHEMBL24789418 0.87 TMPRSS2 (0.35) TMPRSS2TDP1GSK3BADORA3ADORA2A
SCHEMBL24917339 0.87 TMPRSS2 (0.31) TMPRSS2
SCHEMBL24917171 0.87 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 100/4885TDP1 874/4885GSK3B 3317/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885TDP1 874/4885GSK3B 3317/4885

“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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