SCHEMBL2113954

SCHEMBL2113954

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OCOCCC#N)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.36
TK2 O00142 11/20 0.34
TK1 P04183 7/20 0.33
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL31570211 0.94 TYMP (0.36) TYMPTK2TK1
SCHEMBL327187 0.92 TK2 (0.35) TYMPTK2TK1
SCHEMBL7261209 0.92 TYMP (0.36) TYMPTK2TK1
SCHEMBL13205012 0.90 TYMP (0.37) TYMPTK2TK1
SCHEMBL13714443 0.90 TYMP (0.37) TYMPTK2TK1
SCHEMBL2106163 0.90 TYMP (0.36) TYMP
SCHEMBL24433727 0.89 TYMP (0.35) TYMP
SCHEMBL15841441 0.89 TYMP (0.35) TYMP
SCHEMBL26002304 0.89 TYMP (0.35) TYMP
SCHEMBL26002287 0.89 TYMP (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053054-B1 METHOD FOR INTRODUCING NUCLEIC-ACID-PROTECTING GROUP NIPPON SHINYAKU CO LTD (JP) 2014-12-17 EP disclosed
US-8158774-B2 Method for introducing a nucleic-acid protecting group NIPPON SHINYAKU CO., LTD. (JP) 2012-04-17 US disclosed
US-20090286970-A1 METHOD FOR INTRODUCING A NUCLEIC-ACID PROTECTING GROUP NIPPON SHINYAKU CO., LTD. (JP) 2009-11-19 US disclosed
EP-2053054-A1 METHOD FOR INTRODUCING NUCLEIC-ACID-PROTECTING GROUP Nippon Shinyaku Co., Ltd. (JP) 2009-04-29 EP 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-20090286970-A1 METHOD FOR INTRODUCING A NUCLEIC-ACID PROTECTING GROUP RNASEH1, SNRPB2, SNRPA1 TYMP 335/4885TK2 1028/4885TK1 348/4885

“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.