SCHEMBL22399396

SCHEMBL22399396

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2P(=O)(O)OCC[C@H]2O[C@@H](n3ccc4c(Cl)ncnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.52
▸ HPGD P15428 1/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ KRAS P01116 11/20 0.48
▸ HINT1 P49773 1/20 0.47
▸ GSK3A P49840 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ STING1 Q86WV6 3/20 0.46

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
SCHEMBL18521341 0.93 NT5E (0.58) NT5EHPGDTGM2KRASHINT1
SCHEMBL22381597 0.93 NT5E (0.53) NT5EHPGDTGM2KRASHINT1
SCHEMBL24499233 0.90 RNASEL (0.52) NT5EHPGDTGM2KRASP2RY2
SCHEMBL22381522 0.88 NT5E (0.57) NT5ETGM2KRASP2RY2
SCHEMBL18521020 0.87 NT5E (0.60) NT5ETGM2KRASGSK3ARPS6KA3
SCHEMBL21943397 0.86 NT5E (0.56) NT5ETGM2KRASHINT1GSK3A
SCHEMBL24499568 0.86 ADK (0.49) NT5ESTING1
SCHEMBL21943278 0.86 NT5E (0.64) NT5EHPGDTGM2KRASHINT1
SCHEMBL22381684 0.85 NT5E (0.54) NT5EHPGDTGM2KRASHINT1
SCHEMBL22381809 0.85 STING1 (0.54) NT5EHPGDTGM2KRASHINT1

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 NT5E 1372/4885HPGD 1291/4885TGM2 3107/4885

“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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