SCHEMBL22399475

SCHEMBL22399475

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2[P@](=O)(S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.60
▸ P2RX3 P56373 1/20 0.58
▸ FUT5 Q11128 1/20 0.57
▸ TGM2 P21980 1/20 0.57
▸ HINT1 P49773 2/20 0.52
▸ KRAS P01116 11/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ RPS6KA3 P51812 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ P2RY2 P41231 1/20 0.51
▸ P2RY4 P51582 1/20 0.51
▸ P2RY6 Q15077 1/20 0.51
▸ PNP P00491 1/20 0.50

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
SCHEMBL18521940 0.94 NT5E (0.59) NT5EP2RX3FUT5TGM2HINT1
SCHEMBL18521293 0.89 FUT5 (0.62) NT5EP2RX3FUT5TGM2HINT1
SCHEMBL22381693 0.89 FUT5 (0.62) NT5EP2RX3FUT5TGM2HINT1
SCHEMBL18522233 0.87 FUT5 (0.58) NT5EP2RX3FUT5TGM2HINT1
SCHEMBL18521690 0.87 NT5E (0.55) NT5EFUT5TGM2HINT1KRAS
SCHEMBL18521115 0.87 NT5E (0.55) NT5EFUT5TGM2HINT1KRAS
SCHEMBL18521106 0.87 NT5E (0.55) NT5EFUT5TGM2HINT1KRAS
SCHEMBL18521078 0.86 FUT5 (0.69) NT5EP2RX3FUT5TGM2HINT1
SCHEMBL24499127 0.86 NT5E (0.55) NT5EP2RX3TGM2P2RY2
SCHEMBL22399232 0.84 FUT5 (0.60) NT5EP2RX3FUT5TGM2HINT1

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 1372/4885P2RX3 127/4885FUT5 4404/4885

“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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