SCHEMBL22301454

SCHEMBL22301454

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OP(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 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.33
▸ GAPDH P04406 2/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 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
SCHEMBL18490413 0.97 TYMP (0.37) TYMPKDM4EPRMT6GAPDHTAS1R3
SCHEMBL22301452 0.97 TYMP (0.39) TYMPKDM4EPRMT6GAPDHTAS1R3
SCHEMBL18490433 0.96 KDM4E (0.38) TYMPKDM4EPRMT6GAPDHTAS1R3
SCHEMBL27216196 0.93 KDM4E (0.38) TYMPKDM4EPRMT6GAPDH
SCHEMBL20474396 0.92 TYMP (0.39) TYMPKDM4EPRMT6GAPDHTAS1R3
SCHEMBL18490321 0.92 TYMP (0.39) TYMPKDM4EPRMT6GAPDHTAS1R3
Pyridine SCHEMBL22034362 0.92 TYMP (0.34) TYMPKDM4E
SCHEMBL22301451 0.91 TYMP (0.38) TYMPKDM4EPRMT6GAPDHTAS1R3
SCHEMBL20248733 0.90 TYMP (0.35) TYMPKDM4EPRMT6GAPDHTAS1R3
SCHEMBL18992202 0.90 TYMP (0.38) TYMPKDM4EPRMT6GAPDHTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1396/4885KDM4E 3981/4885PRMT6 3816/4885

“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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