SCHEMBL22577529

SCHEMBL22577529

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 14/20 0.56
▸ SLC29A1 Q99808 1/20 0.42
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ NT5E P21589 1/20 0.38

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 0.83 SLC29A1 (0.51) SLC29A1ADORA1ADORA2AADORA2BNT5E
SCHEMBL22577618 0.82 SLC29A1 (0.61) SLC29A1ADORA1ADORA2AADORA2B
SCHEMBL22577548 0.80 TYMP (0.66) TYMPADORA1
SCHEMBL20547881 0.77 TYMP (0.69) TYMPADORA1
SCHEMBL22577537 0.75 TYMP (0.60) TYMPADORA1
SCHEMBL21586639 0.75 TYMP (0.66) TYMPADORA1
SCHEMBL23630131 0.74 TYMP (0.72) TYMPSLC29A1ADORA1
SCHEMBL20579728 0.74 TYMP (0.72) TYMPSLC29A1ADORA1
SCHEMBL22458251 0.73 TYMP (0.86) TYMPSLC29A1ADORA1
SCHEMBL24201469 0.73 TYMP (0.86) TYMPSLC29A1ADORA1

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 3 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-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 TYMP 2186/4885SLC29A1 252/4885ADORA1 34/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 2396/4885SLC29A1 231/4885ADORA1 33/4885

“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.

Send feedback