SCHEMBL16648604

SCHEMBL16648604

Cc1cn([C@@H]2O[C@@]3(COCc4ccccc4)CCO[C@@H]2[C@@H]3OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.41
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TK2 O00142 1/20 0.36
NT5M Q9NPB1 1/20 0.35
RNASE1 P07998 1/20 0.35
TYMP P19971 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
SCHEMBL23264576 1.00 TK1 (0.41) TK1HPGDALDH1A1TK2NT5M
SCHEMBL26738687 1.00 TK1 (0.41) TK1HPGDALDH1A1TK2NT5M
SCHEMBL23264572 1.00 TK1 (0.41) TK1HPGDALDH1A1TK2NT5M
SCHEMBL1096648 0.91 TK1 (0.42) TK1HPGDALDH1A1TK2NT5M
SCHEMBL1096225 0.91 TK1 (0.42) TK1HPGDALDH1A1TK2NT5M
SCHEMBL3271976 0.86 TK1 (0.42) TK1HPGD
SCHEMBL4554920 0.86 TK1 (0.42) TK1HPGD
SCHEMBL29485742 0.85 TK1 (0.42) TK1HPGDTK2NT5MRNASE1
SCHEMBL29485721 0.84 TK1 (0.42) TK1HPGDTK2NT5MRNASE1
SCHEMBL20394066 0.84 TK1 (0.43) TK1HPGDALDH1A1TK2NT5M

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152009-B2 NOVEL NUCLEOSIDES AND OLIGONUCLEOTIDE ANALOGUES DAIICHI SANKYO CO LTD (JP) 2017-09-06 EP claimed
EP-2862868-B1 INTERMEDIATE FOR PRODUCTION OF NUCLEOSIDE ANALOGUE, AND METHOD FOR PRODUCING SAME DAIICHI SANKYO CO LTD (JP) 2020-04-08 EP disclosed
US-9738681-B2 Intermediate for production of nucleoside analog and method for producing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-22 US disclosed
US-20160068561-A9 Intermediate for Production of Nucleoside Analog and Method for Producing the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-10 US disclosed
US-20150152132-A1 Intermediate for Production of Nucleoside Analog and Method for Producing the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862868-A1 INTERMEDIATE FOR PRODUCTION OF NUCLEOSIDE ANALOGUE, AND METHOD FOR PRODUCING SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 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 (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-20150152132-A1 Intermediate for Production of Nucleoside Analog and Method for Producing the Same RNGTT, NSUN2, RNMT TK1 54/4885HPGD 4234/4885ALDH1A1 2978/4885
US-20160068561-A9 Intermediate for Production of Nucleoside Analog and Method for Producing the Same RNGTT, NSUN2, RNMT TK1 54/4885HPGD 4234/4885ALDH1A1 2978/4885

“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.