SCHEMBL1065985

SCHEMBL1065985

COC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OP(N)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.59
▸ NT5E P21589 1/20 0.56
▸ GSK3A P49840 2/20 0.53
▸ RPS6KA3 P51812 2/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ TGM2 P21980 1/20 0.53
▸ PNP P00491 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ FUT5 Q11128 1/20 0.49
▸ IMPDH2 P12268 1/20 0.49
▸ IMPDH1 P20839 1/20 0.49
▸ KRAS P01116 3/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ STING1 Q86WV6 1/20 0.47

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
SCHEMBL6037194 0.90 HINT1 (0.56) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL24247659 0.90 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4369228 0.90 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL12087512 0.90 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL12015186 0.90 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL12590129 0.90 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL15338533 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14

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-20110021748-A1 Non-Natural Peptides as Models for the Development of Antibiotics WAYNE STATE UNIVERSITY (US) 2011-01-27 — — 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-20110021748-A1 Non-Natural Peptides as Models for the Development of Antibiotics MRPL21, SPOUT1, EMG1 HINT1 273/4885NT5E 3034/4885GSK3A 3874/4885

“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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