SCHEMBL14876593

SCHEMBL14876593

C#CCOc1nc2c(NC(=O)c3ccccc3)ncnc2n1[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.41
▸ GAPDH P04406 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ P2RY12 Q9H244 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
SCHEMBL8381922 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL19493436 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL19493438 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL18797894 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL8381924 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL27153067 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL31419333 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL6396836 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL21305068 0.84 TYMP (0.55) TYMPP2RY12
SCHEMBL23216815 0.83 TYMP (0.45) TYMP

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-20130102652-A1 METHODS AND COMPOSITIONS RELATED TO MODIFIED ADENOSINES FOR CONTROLLING OFF-TARGET EFFECTS IN RNA INTERFERENCE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-04-25 — — 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-20130102652-A1 METHODS AND COMPOSITIONS RELATED TO MODIFIED ADENOSINES FOR CONTROLLING OFF-TARGET EFFECTS IN RNA INTERFERENCE ADAR, RNMT, NSUN2 TYMP 589/4885GAPDH 277/4885SIRT2 3319/4885

“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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