SCHEMBL21750447

SCHEMBL21750447

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O2)[C@@H]3O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.39
ADORA2B P29275 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA3 P0DMS8 2/20 0.37
PRMT6 Q96LA8 1/20 0.36
ADORA1 P30542 2/20 0.35
GAPDH P04406 1/20 0.35

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
SCHEMBL24512768 0.90 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL29529257 0.90 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL1097143 0.90 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL19814055 0.90 ADORA3 (0.44) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL24512769 0.89 TYMP (0.39) TYMPADORA2BADORA2AADORA3PRMT6
SCHEMBL31390282 0.88 TYMP (0.42) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL25630100 0.88 TYMP (0.40) TYMPADORA2BADORA2AADORA3PRMT6
SCHEMBL21750389 0.86 ADORA3 (0.47) ADORA3PRMT6ADORA1
SCHEMBL22594746 0.85 ADORA3 (0.43) TYMPADORA2BADORA2AADORA3ADORA1
SCHEMBL6424816 0.85 TYMP (0.43) TYMPADORA2BADORA2AADORA3ADORA1

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
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP disclosed
US-11466047-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-10-11 US disclosed
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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 (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-11466047-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 2012/4885ADORA2B 144/4885ADORA2A 69/4885
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2012/4885ADORA2B 144/4885ADORA2A 69/4885

“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.