SCHEMBL26327372

SCHEMBL26327372

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

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL18636437 0.89 TMPRSS2 (0.43) TMPRSS2
SCHEMBL21283652 0.89 — —
SCHEMBL20078702 0.87 TMPRSS2 (0.33) TMPRSS2RIPK1
SCHEMBL22096276 0.86 POLRMT (0.33) TMPRSS2RIPK1
SCHEMBL20878404 0.84 TMPRSS2 (0.32) TMPRSS2
SCHEMBL20078672 0.82 TMPRSS2 (0.36) TMPRSS2RIPK1
SCHEMBL18636611 0.82 TMPRSS2 (0.34) TMPRSS2
SCHEMBL22739002 0.81 KRAS (0.31) RIPK1
SCHEMBL25512483 0.81 RIPK1 (0.33) RIPK1
SCHEMBL18636474 0.81 TMPRSS2 (0.31) 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-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-09-14 — — 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-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS MTAP, SARS1, RNGTT TMPRSS2 181/4885RIPK1 1226/4885

“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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