SCHEMBL15499370

SCHEMBL15499370

CN[C@@H](C)C(=O)OCC(C)(C)OC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CA14 Q9ULX7 2/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
CA12 O43570 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19906319 1.00 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18430098 0.85 CA14 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24149385 0.83 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15074258 0.82 KMT2A (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10186174 0.82 KMT2A (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15074250 0.82 KMT2A (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28986517 0.80
SCHEMBL19906342 0.79 SCN1A (0.35) METAP2METAP1ALDH1A1TSHRTDP1
SCHEMBL23844012 0.78 CA1 (0.45) CA14CA12
Hydrochloric Acid SCHEMBL28986534 0.76 CA1 (0.44) CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890704-B1 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-9814739-B2 2′-ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2017-04-27 US disclosed
US-9556216-B2 2′-Ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160289259-A1 2'-Branched Nucleosides for Treatment of Viral Infections NOVARTIS AG (CH) 2016-10-06 US disclosed
US-20150232501-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2015-08-20 US disclosed
US-20140065101-A1 2'-Branched Nucleosides for Treatment of Viral Infections NOVARTIS AG (CH) 2014-03-06 US disclosed
WO-2014033617-A1 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-03-06 WO 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 (4 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-20160289259-A1 2'-Branched Nucleosides for Treatment of Viral Infections EIF2AK2, WNK1, OXSR1 GRIN2D 995/4885GRIN3B 884/4885GRIN1 832/4885
US-20140065101-A1 2'-Branched Nucleosides for Treatment of Viral Infections EIF2AK2, WNK1, OXSR1 GRIN2D 995/4885GRIN3B 884/4885GRIN1 832/4885
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, NEK5, ERN2 GRIN2D 809/4885GRIN3B 819/4885GRIN1 1507/4885
US-20150232501-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, ERN2, NEK5 GRIN2D 807/4885GRIN3B 846/4885GRIN1 1549/4885

“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.