SCHEMBL2815213

SCHEMBL2815213

CO[C@H]1O[C@H](C(C)OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@@]1(C)OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.39
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL2814786 0.92 NT5E (0.38) NT5EPOLBMAPTCYP2C9CYP2C19
SCHEMBL13134599 0.91 GAA (0.36) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL14643296 0.91 GAA (0.36) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL2815464 0.83 GAA (0.37) LMNAALDH1A1
SCHEMBL13134669 0.82 ABCB1 (0.38) KMT2A
SCHEMBL14643301 0.82 ABCB1 (0.38) KMT2A
SCHEMBL14643931 0.79 GAA (0.37) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL383198 0.78 LGALS3 (0.44) NT5EPOLBMAPTCYP2C9CYP2C19
SCHEMBL779104 0.78 LGALS3 (0.44) NT5EPOLBMAPTCYP2C9CYP2C19
SCHEMBL2815112 0.76 RAB9A (0.35) MAPTKMT2AMEN1ALOX5LMNA

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
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR NT5E 19/4885POLB 135/4885MAPT 4701/4885

“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.