SCHEMBL25912331

SCHEMBL25912331

CCCC(=O)Nc1ncnn2c([C@]3(C)O[C@H](COC(=O)Cc4ccccc4)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ GSK3B P49841 3/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ IARS1 P41252 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MARS1 P56192 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL25913419 0.95 TMPRSS2 (0.35) TMPRSS2NR4A1NPSR1IARS1NPC1
SCHEMBL25912345 0.90 TMPRSS2 (0.39) TMPRSS2TSHR
SCHEMBL24789732 0.89 TMPRSS2 (0.45) TMPRSS2TSHRNPC1RAB9A
SCHEMBL24917230 0.88 TMPRSS2 (0.50) TMPRSS2GSK3BNR4A1TSHRGAA
SCHEMBL25912080 0.88 TMPRSS2 (0.35) TMPRSS2GAAMAPTLMNANPC1
SCHEMBL24917171 0.88 TMPRSS2 (0.39) TMPRSS2TSHR
SCHEMBL25925531 0.88 TMPRSS2 (0.37) TMPRSS2TSHR
SCHEMBL24789455 0.87 IARS1 (0.31) TMPRSS2IARS1
SCHEMBL25912349 0.86 TMPRSS2 (0.38) TMPRSS2TSHR
SCHEMBL24789422 0.86 TMPRSS2 (0.35) TMPRSS2GSK3BGAAMAPT

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 100/4885GSK3B 3317/4885NR4A1 2561/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885GSK3B 3317/4885NR4A1 2561/4885

“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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