SCHEMBL22577618

SCHEMBL22577618

OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc4nccn4c32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.61
▸ ADORA2A P29274 8/20 0.56
▸ ADORA2B P29275 6/20 0.56
▸ ADORA3 P0DMS8 6/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ TP53 P04637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ STAT6 P42226 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
SCHEMBL25808148 0.92 SLC29A1 (0.51) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL22577529 0.82 TYMP (0.56) SLC29A1ADORA2AADORA2BADORA1
SCHEMBL25816604 0.82 SLC29A1 (0.39) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL14156814 0.80 LMNA (0.48) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL14156805 0.80 LMNA (0.57) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL20691367 0.79 SLC29A1 (0.51) SLC29A1TP53
SCHEMBL21145007 0.77 SLC29A1 (0.74) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL14156811 0.77 SLC29A1 (0.48) SLC29A1ADORA3ADORA1TP53
SCHEMBL7054035 0.76 SLC29A1 (1.00) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL7054042 0.76 SLC29A1 (1.00) SLC29A1ADORA2AADORA2BADORA3ADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
EP-3727401-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-10-28 — — EP 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 (2 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 SLC29A1 252/4885ADORA2A 70/4885ADORA2B 148/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 SLC29A1 231/4885ADORA2A 69/4885ADORA2B 147/4885

“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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