SCHEMBL21591934

SCHEMBL21591934

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(O)C2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.55
ADORA1 P30542 3/20 0.47
P2RY12 Q9H244 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46

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
SCHEMBL8385934 1.00 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL8385935 1.00 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL29814199 1.00 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL20482910 1.00 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL31419333 0.95 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL6396836 0.95 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL21305068 0.95 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL19493438 0.95 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL8381924 0.95 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B
SCHEMBL18797894 0.95 TYMP (0.55) TYMPADORA1P2RY12ADORA2AADORA2B

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-10633411-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-04-28 US disclosed
US-10508129-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-12-17 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-10508129-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885ADORA1 443/4885P2RY12 304/4885
US-10633411-B2 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, GMPS, STING1 TYMP 221/4885ADORA1 443/4885P2RY12 304/4885

“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.