SCHEMBL21742682

SCHEMBL21742682

[N-]=[N+]=NCCNP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.69
▸ TGM2 P21980 1/20 0.69
▸ KRAS P01116 11/20 0.62
▸ FUT5 Q11128 1/20 0.58
▸ HINT1 P49773 1/20 0.57
▸ IMPDH2 P12268 4/20 0.57
▸ IMPDH1 P20839 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.57
▸ TAS1R1 Q7RTX1 1/20 0.57

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
SCHEMBL21742687 0.95 TGM2 (0.75) NT5ETGM2KRASFUT5
E626 SCHEMBL22134207 0.92 TGM2 (0.65) NT5ETGM2KRASIMPDH2IMPDH1
Ammonia Solution, Strong SCHEMBL22134206 0.91 TGM2 (0.63) NT5ETGM2KRASFUT5IMPDH2
SCHEMBL21742683 0.89 NT5E (0.74) NT5ETGM2KRASFUT5HINT1
SCHEMBL22001609 0.89 NT5E (0.73) NT5ETGM2KRASFUT5HINT1
SCHEMBL21742888 0.88 NT5E (0.70) NT5ETGM2KRASFUT5HINT1
Ammonia Solution, Strong SCHEMBL21715317 0.87 NT5E (0.69) NT5ETGM2KRASFUT5HINT1
SCHEMBL21742747 0.87 KRAS (0.72) NT5ETGM2KRASFUT5
SCHEMBL1894736 0.86 TGM2 (0.87) NT5ETGM2KRASFUT5HINT1
SCHEMBL5356571 0.86 NT5E (0.81) NT5ETGM2KRASFUT5HINT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696709-B2 Phosphotriazole MRNA 5′-end cap analogs, composition comprising the same, RNA molecule incorporating the same, uses thereof and method of synthesizing RNA molecule, protein or peptide UNIWERSYTET WARSZAWSKI (PL) 2020-06-30 — — US disclosed
US-20200055891-A1 NOVEL PHOSPHOTRIAZOLE MRNA 5'-END CAP ANALOGS, COMPOSITION COMPRISING THE SAME, RNA MOLECULE INCORPORATING THE SAME, USES THEREOF AND METHOD OF SYNTHESIZING RNA MOLECULE, PROTEIN OR PEPTIDE UNIWERSYTET WARSZAWSKI (PL) 2020-02-20 — — 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 (2 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-10696709-B2 Phosphotriazole MRNA 5′-end cap analogs, composition comprising the same, RNA molecule incorporating the same, uses thereof and method of synthesizing RNA molecule, protein or peptide RNGTT, RNMT, NSUN3 NT5E 1027/4885TGM2 3265/4885KRAS 3243/4885
US-20200055891-A1 NOVEL PHOSPHOTRIAZOLE MRNA 5'-END CAP ANALOGS, COMPOSITION COMPRISING THE SAME, RNA MOLECULE INCORPORATING THE SAME, USES THEREOF AND METHOD OF SYNTHESIZING RNA MOLECULE, PROTEIN OR PEPTIDE RNGTT, RNMT, NSUN3 NT5E 867/4885TGM2 3588/4885KRAS 3403/4885

“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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