SCHEMBL26295060

SCHEMBL26295060

CCC(CC)COC(=O)[C@H](C)N[PH](=O)C[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.43

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
SCHEMBL18636437 0.91 TMPRSS2 (0.43) TMPRSS2
SCHEMBL20135819 0.87 TMPRSS2 (0.40) TMPRSS2
SCHEMBL17712275 0.86 TMPRSS2 (0.39) TMPRSS2
SCHEMBL17712236 0.86 TMPRSS2 (0.39) TMPRSS2
SCHEMBL23697319 0.85 TMPRSS2 (0.43) TMPRSS2
SCHEMBL22096270 0.84 TMPRSS2 (0.44) TMPRSS2
SCHEMBL26206204 0.83 TMPRSS2 (0.45) TMPRSS2
SCHEMBL19223101 0.83 TMPRSS2 (0.43) TMPRSS2
SCHEMBL20078672 0.82 TMPRSS2 (0.36) TMPRSS2
SCHEMBL23696910 0.82 TMPRSS2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279036-A1 Salts of Remdesivir THE BANK OF NOVA SCOTIA 2023-09-07 — — 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 (1 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-20230279036-A1 Salts of Remdesivir ACE2, ACE, PNP TMPRSS2 5/4885

“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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