SCHEMBL20481855

SCHEMBL20481855

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2OP(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O[PH](=O)O[C@@H]3[C@H](F)[C@@H](COP(OCCC#N)O[C@H]4C[C@H](n5cnc6c(NC(=O)c7ccccc7)ncnc65)O[C@@H]4COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O[C@H]3n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@@H]2F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ TYMP P19971 4/20 0.38
▸ PRMT6 Q96LA8 1/20 0.32
▸ GAPDH P04406 2/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.30

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
SCHEMBL20481856 0.97 KDM4E (0.39) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL29881809 0.97 KDM4E (0.39) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL27216196 0.93 KDM4E (0.38) KDM4ETYMPPRMT6GAPDH
SCHEMBL22301423 0.93 TYMP (0.38) KDM4ETYMPPRMT6GAPDH
SCHEMBL20474396 0.91 TYMP (0.39) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL18490321 0.91 TYMP (0.39) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL22301428 0.91 TYMP (0.37) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL18490433 0.91 KDM4E (0.38) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL22301453 0.90 TYMP (0.37) KDM4ETYMPPRMT6GAPDHTAS1R3
SCHEMBL22301452 0.89 TYMP (0.39) KDM4ETYMPPRMT6GAPDHTAS1R3

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-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — 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-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 KDM4E 4116/4885TYMP 1508/4885PRMT6 3865/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 KDM4E 4116/4885TYMP 1508/4885PRMT6 3865/4885

“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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