SCHEMBL22577548

SCHEMBL22577548

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c5nccn5c43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 15/20 0.66
▸ ADORA1 P30542 2/20 0.43
▸ IMPDH2 P12268 2/20 0.43
▸ IMPDH1 P20839 1/20 0.43
▸ HINT1 P49773 1/20 0.39

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
SCHEMBL22577504 0.90 TYMP (0.54) TYMPADORA1IMPDH2IMPDH1
SCHEMBL22577502 0.83 TYMP (0.46) TYMPIMPDH2IMPDH1
SCHEMBL6420722 0.81 TYMP (0.79) TYMPADORA1HINT1
SCHEMBL22577600 0.81 TYMP (0.44) TYMP
SCHEMBL22577529 0.80 TYMP (0.56) TYMPADORA1
SCHEMBL20691415 0.80 TYMP (1.00) TYMPADORA1
SCHEMBL20214677 0.80 TYMP (0.77) TYMPADORA1IMPDH2IMPDH1
SCHEMBL21586639 0.80 TYMP (0.66) TYMPADORA1
SCHEMBL22577537 0.80 TYMP (0.60) TYMPADORA1
SCHEMBL22879159 0.79 TYMP (0.78) TYMPADORA1IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2186/4885ADORA1 34/4885IMPDH2 1168/4885

“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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