SCHEMBL21742687

SCHEMBL21742687

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

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.75
▸ KRAS P01116 11/20 0.67
▸ NT5E P21589 1/20 0.64
▸ FUT5 Q11128 1/20 0.62
▸ P2RX3 P56373 1/20 0.57
▸ P2RY2 P41231 1/20 0.57
▸ P2RY4 P51582 1/20 0.57
▸ P2RY6 Q15077 1/20 0.57
▸ DCPS Q96C86 1/20 0.56

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
SCHEMBL21742682 0.95 NT5E (0.69) TGM2KRASNT5EFUT5
SCHEMBL21742688 0.90 TGM2 (0.81) TGM2KRASNT5EFUT5P2RX3
SCHEMBL21742747 0.89 KRAS (0.72) TGM2KRASNT5EFUT5P2RX3
SCHEMBL12513695 0.89 TGM2 (0.80) TGM2KRASNT5EFUT5P2RX3
Ammonia Solution, Strong SCHEMBL22134206 0.89 TGM2 (0.63) TGM2KRASNT5EFUT5
E626 SCHEMBL22134207 0.89 TGM2 (0.65) TGM2KRASNT5E
SCHEMBL21742888 0.88 NT5E (0.70) TGM2KRASNT5EFUT5P2RX3
Ammonia Solution, Strong SCHEMBL21715317 0.87 NT5E (0.69) TGM2KRASNT5EFUT5P2RX3
SCHEMBL24409582 0.87 TGM2 (0.75) TGM2KRASNT5EFUT5P2RX3
SCHEMBL13419012 0.87 TGM2 (0.75) TGM2KRASNT5EFUT5P2RX3

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 TGM2 3265/4885KRAS 3243/4885NT5E 1027/4885
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 TGM2 3588/4885KRAS 3403/4885NT5E 867/4885

“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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