SCHEMBL29779799

SCHEMBL29779799

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@@]23CC3(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.47
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40

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
SCHEMBL22915721 1.00 TYMP (0.47) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL6513979 0.86 TYMP (0.47) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL18496453 0.84 TYMP (0.51) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL13057654 0.84 TYMP (0.51) TYMPADORA2AADORA2BADORA1P2RY12
SCHEMBL29679722 0.84 TYMP (0.67) TYMPADORA1P2RY12
SCHEMBL17304362 0.84 TYMP (0.67) TYMPADORA1P2RY12
SCHEMBL19493363 0.84 TYMP (0.67) TYMPADORA1P2RY12
SCHEMBL917680 0.84 TYMP (0.67) TYMPADORA1P2RY12
SCHEMBL917678 0.84 TYMP (0.67) TYMPADORA1P2RY12
SCHEMBL8386141 0.84 TYMP (0.67) TYMPADORA1P2RY12

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-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEONE MEDICINES I GMBH (CH) 2022-08-11 — — 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-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS TYMP 121/4885ADORA2A 122/4885ADORA2B 544/4885

“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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