SCHEMBL29644745

SCHEMBL29644745

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.42
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.35
▸ GAPDH P04406 2/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ NT5E P21589 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
SCHEMBL18927153 1.00 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL18511052 1.00 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL29471806 1.00 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL18822706 0.96 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL24499270 0.94 TYMP (0.39) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL29581997 0.94 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL26535891 0.94 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL24878603 0.94 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL668595 0.94 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL25873876 0.94 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1

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-20240182511-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-06-06 — — US disclosed
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 — — EP disclosed
WO-2022225827-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2022-10-27 — — WO disclosed
WO-2022216577-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2022-10-13 — — WO disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 — — US disclosed
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 — — 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 (3 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-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885PRMT6 3865/4885PRKAG1 435/4885
US-20240182511-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS STING1, IFNAR1, CGAS TYMP 213/4885PRMT6 3029/4885PRKAG1 256/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 TYMP 221/4885PRMT6 3064/4885PRKAG1 160/4885

“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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