SCHEMBL26326139

SCHEMBL26326139

CCCCCCCCO[C@H](CC)COP(=O)(O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@@H](O)C1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ POLRMT O00411 1/20 0.33
▸ ADK P55263 5/20 0.33
▸ ENTPD1 P49961 1/20 0.32

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
SCHEMBL25967308 0.95 TMPRSS2 (0.42) TMPRSS2POLRMTADK
SCHEMBL26326030 0.94 TMPRSS2 (0.40) TMPRSS2POLRMTADK
SCHEMBL24305054 0.92 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL24339535 0.91 TMPRSS2 (0.39) TMPRSS2POLRMTADK
SCHEMBL24339530 0.91 TMPRSS2 (0.39) TMPRSS2POLRMTADK
SCHEMBL24339529 0.91 TMPRSS2 (0.39) TMPRSS2POLRMTADK
SCHEMBL24304949 0.91 TMPRSS2 (0.40) TMPRSS2POLRMTADK
SCHEMBL24305334 0.91 TMPRSS2 (0.39) TMPRSS2POLRMTADK
SCHEMBL25968004 0.89 TMPRSS2 (0.38) TMPRSS2POLRMTADK
SCHEMBL25967671 0.89 TMPRSS2 (0.38) TMPRSS2POLRMTADK

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 181/4885POLRMT 20/4885ADK 35/4885

“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