SCHEMBL21283649

SCHEMBL21283649

CC(C)(C)C(=O)SCCCP(=O)(OCCSC(=O)C(C)(C)C)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ POLRMT O00411 1/20 0.31

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
SCHEMBL10120864 0.91 TMPRSS2 (0.43) TMPRSS2POLRMT
SCHEMBL24119311 0.91 TMPRSS2 (0.43) TMPRSS2POLRMT
SCHEMBL22646485 0.88 TMPRSS2 (0.42) TMPRSS2POLRMT
SCHEMBL24976071 0.87 TMPRSS2 (0.40) TMPRSS2
SCHEMBL31684196 0.85 TMPRSS2 (0.42) TMPRSS2
SCHEMBL10120871 0.84 CA12 (0.36) TMPRSS2POLRMT
SCHEMBL16152065 0.84 TMPRSS2 (0.32) TMPRSS2
SCHEMBL25821541 0.81 TMPRSS2 (0.47) TMPRSS2
SCHEMBL26251496 0.81 TMPRSS2 (0.41) TMPRSS2
SCHEMBL10120059 0.81 TMPRSS2 (0.38) 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-20190255085-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-08-22 — — 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-20190255085-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 TMPRSS2 12/4885POLRMT 1645/4885

“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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