SCHEMBL918560

SCHEMBL918560

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)nc(C(=O)Nc5ccccc5)nc43)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 14/20 0.60
▸ HINT1 P49773 1/20 0.49
▸ P2RY12 Q9H244 1/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ NT5E P21589 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
SCHEMBL17304362 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL19493362 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL917680 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL8386141 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL19493363 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL917678 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL7529299 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL29679722 0.87 TYMP (0.67) TYMPP2RY12ADORA1
SCHEMBL7529826 0.86 TYMP (0.66) TYMPP2RY12ADORA1
SCHEMBL8613305 0.84 TYMP (0.58) TYMPADORA1NT5E

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-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF KANEKA CORPORATION (JP) 2011-01-13 — — 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-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF RNASEL, RNASEH1, NUDT1 TYMP 183/4885HINT1 234/4885P2RY12 3020/4885

“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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