SCHEMBL25912502

SCHEMBL25912502

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ GSK3B P49841 4/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TK2 O00142 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ LGALS8 O00214 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ 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
SCHEMBL24917252 0.95 TMPRSS2 (0.36) TMPRSS2TK2ADORA3NPC1RAB9A
SCHEMBL25912570 0.91 TMPRSS2 (0.40) TMPRSS2LMNATSHRCYP1A2HTR1A
SCHEMBL24789443 0.88 TMPRSS2 (0.49) TMPRSS2GSK3BALDH1A1KMT2A
SCHEMBL25912420 0.88 TMPRSS2 (0.40) TMPRSS2TSHR
SCHEMBL25912633 0.88 TMPRSS2 (0.38) TMPRSS2LMNATSHRCYP1A2HTR1A
SCHEMBL25912463 0.88 TMPRSS2 (0.35) TMPRSS2GAALGALS8LMNA
SCHEMBL25912600 0.86 TMPRSS2 (0.39) TMPRSS2TSHR
SCHEMBL25912495 0.86 TMPRSS2 (0.38) TMPRSS2
SCHEMBL25912331 0.85 TMPRSS2 (0.36) TMPRSS2GSK3BGAAMAPTLMNA
SCHEMBL25912448 0.85 TMPRSS2 (0.36) TMPRSS2GSK3BADORA3LMNACYP1A2

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 3317/4885GAA 493/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885GSK3B 3317/4885GAA 493/4885

“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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