SCHEMBL24106482

SCHEMBL24106482

CNc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.67
▸ MAP4K4 O95819 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ADK P55263 1/20 0.32
▸ HSPA8 P11142 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
SCHEMBL23959988 0.91 TMPRSS2 (0.66) TMPRSS2
SCHEMBL26004234 0.89 TMPRSS2 (0.62) TMPRSS2MAP4K4ADORA3ADORA1
SCHEMBL25216402 0.87 TMPRSS2 (0.62) TMPRSS2ADORA3ADORA1
SCHEMBL12393420 0.86 TMPRSS2 (0.58) TMPRSS2
SCHEMBL30960132 0.86 TMPRSS2 (0.71) TMPRSS2
SCHEMBL30363087 0.85 TMPRSS2 (0.59) TMPRSS2
SCHEMBL24789761 0.85 TMPRSS2 (0.67) TMPRSS2ADORA1
SCHEMBL30973747 0.84 TMPRSS2 (0.66) TMPRSS2
SCHEMBL30973738 0.84 TMPRSS2 (0.66) TMPRSS2
SCHEMBL30973741 0.84 TMPRSS2 (0.66) TMPRSS2

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-20230241225-A1 ANTI-VIRAL COMPOUNDS AND METHODS OF USE METRO INTERNATIONAL BIOTECH, LLC 2023-08-03 — — US disclosed
US-20210388019-A1 ANTI-VIRAL COMPOUNDS AND METHODS OF USE METRO INTERNATIONAL BIOTECH, LLC 2021-12-16 — — 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-20210388019-A1 ANTI-VIRAL COMPOUNDS AND METHODS OF USE SARS1, MAVS, NME4 TMPRSS2 42/4885MAP4K4 1770/4885ADORA3 839/4885
US-20230241225-A1 ANTI-VIRAL COMPOUNDS AND METHODS OF USE SARS1, MAVS, NME4 TMPRSS2 42/4885MAP4K4 1770/4885ADORA3 839/4885

“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.

Send feedback