SCHEMBL22577504

SCHEMBL22577504

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c5nccn5c43)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 15/20 0.54
▸ NT5E P21589 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34

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
SCHEMBL22577502 0.91 TYMP (0.46) TYMPNT5ETAS1R3TAS1R1IMPDH2
SCHEMBL22577548 0.90 TYMP (0.66) TYMPADORA1IMPDH2IMPDH1
SCHEMBL22577600 0.88 TYMP (0.44) TYMPNT5E
SCHEMBL25808153 0.81 IMPDH2 (0.35) NT5ETAS1R3TAS1R1ADORA1IMPDH2
SCHEMBL22577531 0.77 TYMP (0.48) TYMPADORA1
SCHEMBL22034224 0.76 TYMP (0.55) TYMPADORA1
SCHEMBL22033791 0.76 TYMP (0.55) TYMPADORA1
SCHEMBL17223100 0.74 TYMP (0.64) TYMPNT5ETAS1R3TAS1R1ADORA1
SCHEMBL18042134 0.74 TYMP (0.68) TYMPNT5ETAS1R3TAS1R1
SCHEMBL16702978 0.74 TYMP (0.68) TYMPNT5ETAS1R3TAS1R1

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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
EP-3727401-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-10-28 — — EP 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2186/4885NT5E 1544/4885TAS1R3 560/4885

“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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