SCHEMBL22034033

SCHEMBL22034033

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.47
▸ METTL3 Q86U44 3/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ TMIGD3 P0DMS9 2/20 0.39
▸ ADK P55263 1/20 0.38
▸ TYMS P04818 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ RET P07949 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL27216186 1.00 TYMP (0.47) TYMPMETTL3PRMT5TMIGD3ADK
SCHEMBL18490419 1.00 TYMP (0.47) TYMPMETTL3PRMT5TMIGD3ADK
SCHEMBL29674530 0.89 TYMP (0.58) TYMP
SCHEMBL21044306 0.89 TYMP (0.58) TYMP
SCHEMBL29674438 0.89 TYMP (0.58) TYMP
SCHEMBL22984001 0.89 TYMP (0.58) TYMP
SCHEMBL3824088 0.89 TYMP (0.58) TYMP
SCHEMBL3824084 0.89 TYMP (0.58) TYMP
SCHEMBL31556050 0.89 TYMP (0.58) TYMP
SCHEMBL29674456 0.89 TYMP (0.58) TYMP

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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-01-27 — — US disclosed
EP-3891164-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 — — EP disclosed
EP-3891165-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 — — EP disclosed
WO-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO 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-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TYMP 2010/4885METTL3 4403/4885PRMT5 4169/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TYMP 2032/4885METTL3 4423/4885PRMT5 4138/4885

“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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