SCHEMBL917657

SCHEMBL917657

COc1ccc(C(OC[C@H]2O[C@@](C(N)=O)(n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.39
DUT P33316 6/20 0.35
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
P2RY14 Q15391 1/20 0.32

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
SCHEMBL917968 0.92 TYMP (0.40) TYMPDUTSLC6A1SLC6A11P2RY14
SCHEMBL6363039 0.79 TYMP (0.40) TYMPDUTSLC6A1SLC6A11P2RY14
SCHEMBL8209464 0.72 P2RY6 (0.54) TYMPP2RY14
SCHEMBL8210400 0.72 P2RY6 (0.54) TYMPP2RY14
SCHEMBL779246 0.72 TYMP (0.40) TYMPDUTSLC6A1SLC6A11P2RY14
SCHEMBL21905172 0.72 TYMP (0.45) TYMPDUTP2RY14
SCHEMBL13589363 0.72 TYMP (0.53) TYMPP2RY14
SCHEMBL19185368 0.72 CYP3A4 (0.52) TYMPDUTP2RY14
SCHEMBL17737292 0.72 CYP3A4 (0.52) TYMPDUTP2RY14
SCHEMBL4387787 0.72 TYMP (0.53) TYMPP2RY14

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-8252919-B2 2′-hydroxy-protected ribonucleoside derivative and production method thereof KANEKA CORPORATION (JP) 2012-08-28 US disclosed
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 183/4885DUT 5/4885SLC6A1 4423/4885

“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.