SCHEMBL12714582

SCHEMBL12714582

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)C(N)C2O)c(=O)[nH]1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.87
▸ KRAS P01116 8/20 0.65
▸ TGM2 P21980 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ PLCG1 P19174 1/20 0.59
▸ ENPP1 P22413 1/20 0.59

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
Phosphomethylphosphonic Acid Guanosyl Ester SCHEMBL12714656 0.93 NT5E (1.00) NT5EKRASTGM2PLCG1ENPP1
Phosphomethylphosphonic Acid Guanosyl Ester SCHEMBL21067782 0.93 NT5E (1.00) NT5EKRASTGM2PLCG1ENPP1
Phosphomethylphosphonic Acid Guanosyl Ester SCHEMBL4312033 0.93 NT5E (1.00) NT5EKRASTGM2PLCG1ENPP1
Phosphomethylphosphonic Acid Guanosyl Ester SCHEMBL12714637 0.93 NT5E (1.00) NT5EKRASTGM2PLCG1ENPP1
SCHEMBL13638720 0.91 NT5E (0.71) NT5EKRASTGM2POLB
SCHEMBL12714661 0.90 NT5E (0.84) NT5EKRASTGM2POLBPLCG1
SCHEMBL26624061 0.88 NT5E (0.81) NT5EKRASTGM2POLB
SCHEMBL12714665 0.88 NT5E (0.84) NT5EKRASTGM2POLB
SCHEMBL12714573 0.87 NT5E (0.82) NT5EKRASTGM2POLB
SCHEMBL4371935 0.87 TGM2 (0.71) NT5EKRASTGM2POLBENPP1

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-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2011-04-14 — — US disclosed
US-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2011-04-14 — — 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-20110086813-A1 COMPOUNDS FOR TREATING BACTERIAL INFECTIONS REL, RELA, NFKB1 NT5E 492/4885KRAS 176/4885TGM2 1523/4885

“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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