SCHEMBL24499094

SCHEMBL24499094

NC(=O)c1ncnc2c1ncn2[C@@H]1O[C@H](CCOP(=O)(O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 13/20 0.54
▸ NT5E P21589 1/20 0.54
▸ KRAS P01116 3/20 0.53
▸ TGM2 P21980 1/20 0.52
▸ ADORA1 P30542 1/20 0.52

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
SCHEMBL18521681 0.93 RNASEL (0.62) RNASELNT5EKRASTGM2
SCHEMBL21943191 0.92 RNASEL (0.63) RNASELADORA1
SCHEMBL24499056 0.90 RNASEL (0.55) RNASELNT5EKRASTGM2ADORA1
SCHEMBL24499234 0.88 NT5E (0.54) RNASELNT5EKRASTGM2ADORA1
SCHEMBL22381711 0.88 NT5E (0.55) RNASELNT5EKRASTGM2ADORA1
SCHEMBL24499555 0.87 RNASEL (0.56) RNASELNT5EKRASTGM2ADORA1
SCHEMBL18521781 0.87 RNASEL (0.57) RNASELNT5EADORA1
SCHEMBL24499573 0.86 RNASEL (0.57) RNASELNT5EADORA1
SCHEMBL22381537 0.86 NT5E (0.54) NT5EKRASTGM2
SCHEMBL22381798 0.86 RNASEL (0.56) RNASELNT5ETGM2

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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 — — 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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 RNASEL 1846/4885NT5E 56/4885KRAS 361/4885

“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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