SCHEMBL22301451

SCHEMBL22301451

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OP(=S)(OCCC#N)OC[C@H]3O[C@@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)[C@H](O[PH](=O)O)[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.38
▸ GAPDH P04406 1/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ P2RY12 Q9H244 5/20 0.33
▸ PRMT6 Q96LA8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL18992202 0.99 TYMP (0.38) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18797906 0.97 TYMP (0.37) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18490592 0.97 TYMP (0.37) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL22301448 0.97 TYMP (0.39) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL22301424 0.92 KDM4E (0.39) GAPDHTAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18048088 0.92 TYMP (0.40) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18490593 0.92 KDM4E (0.38) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18797900 0.92 TYMP (0.39) TYMPGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18797879 0.92 TYMP (0.39) TYMPGAPDHTAS1R3TAS1R1P2RY12
Pyridine SCHEMBL22034289 0.92 TYMP (0.33) TYMPTAS1R3TAS1R1

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
EP-3344644-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-06-26 — — EP disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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 (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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TYMP 1396/4885GAPDH 4373/4885TAS1R3 523/4885

“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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