SCHEMBL17109563

SCHEMBL17109563

CC1(O)[C@@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ ADORA2A P29274 2/20 0.35
▸ PIK3CD O00329 2/20 0.31
▸ POLRMT O00411 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ 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
SCHEMBL17117181 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL12243239 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL16730747 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL19644929 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL10120471 1.00 TMPRSS2 (0.42) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL15682912 0.91 TMPRSS2 (0.41) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL881677 0.90 TMPRSS2 (0.40) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL15888889 0.90 TMPRSS2 (0.40) TMPRSS2ADORA2APIK3CDPOLRMTPI4KA
SCHEMBL12393232 0.90 TMPRSS2 (0.37) TMPRSS2ADORA2APOLRMTPI4KAPI4K2B
SCHEMBL12393404 0.89 TMPRSS2 (0.41) 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-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides ZHONG MINGHONG (US) 2015-09-24 — — 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-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides TYMP, ENPP3, PNP TMPRSS2 569/4885ADORA2A 55/4885PIK3CD 2426/4885

“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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