SCHEMBL16497062

SCHEMBL16497062

CC(=O)OC[C@H]1O[C@@H](n2cc(C(=O)O)c3c(N)ncnc32)[C@](C)(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ RET P07949 5/20 0.33
▸ METTL3 Q86U44 2/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ ATG7 O95352 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ PRKAB2 O43741 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
SCHEMBL13494110 0.91 ADK (0.38) ADKALDH1A1MAPTNPC1GALR3
SCHEMBL16496534 0.88 ADK (0.36) ADKALDH1A1MAPTNPC1GALR3
SCHEMBL14081712 0.87 ADK (0.35) ADKALDH1A1MAPTNPC1GALR3
SCHEMBL4014575 0.87 ADK (0.35) ADKALDH1A1MAPTNPC1GALR3
SCHEMBL16496977 0.85 RET (0.36) ADKRETLCKSRC
SCHEMBL13494103 0.85 ADK (0.34) ADKXDHATG7PRKAB2PRKAG1
SCHEMBL4020234 0.83 ABL1 (0.36) ADKRETLCKSRC
SCHEMBL14081718 0.82 PRMT5 (0.45) ADKMETTL3PRMT5
SCHEMBL4016824 0.82 PRMT5 (0.45) ADKMETTL3PRMT5
SCHEMBL4020116 0.80 LMNA (0.32) ALDH1A1LMNA

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-20110306573-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES MERCK SHARP & DOHME CORP. 2011-12-15 — — 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-20110306573-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES POLR2E, POLR2H, POLRMT ADK 762/4885ALDH1A1 921/4885MAPT 2709/4885

“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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