SCHEMBL2815464

SCHEMBL2815464

CO[C@H]1O[C@H](C(C)O)[C@@H](OC(=O)c2ccccc2)[C@@]1(C)OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABCB1 P08183 7/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SLC43A1 O75387 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
SCHEMBL14643296 0.89 GAA (0.36) GAATSHRHTR3EHTR3BCHRNA7
SCHEMBL13134599 0.89 GAA (0.36) GAATSHRHTR3EHTR3BCHRNA7
SCHEMBL2815213 0.83 NT5E (0.39) ALDH1A1LMNA
SCHEMBL2816501 0.80 LGALS3 (0.43) GAATSHRALDH1A1ABCB1
SCHEMBL13065497 0.79 ALDH1A1 (0.48) GAACHRNA7ALDH1A1LMNATDP1
SCHEMBL14643301 0.79 ABCB1 (0.38) GAATSHRABCB1SLC43A1
SCHEMBL13134669 0.79 ABCB1 (0.38) GAATSHRABCB1SLC43A1
SCHEMBL13965711 0.75 GAA (0.42) GAATSHRHTR3EHTR3BCHRNA7
SCHEMBL12966926 0.75 GAA (0.42) GAATSHRHTR3EHTR3BCHRNA7
SCHEMBL13080433 0.75 GAA (0.42) GAATSHRHTR3EHTR3BCHRNA7

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-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
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
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 US disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 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 (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 GAA 488/4885TSHR 3592/4885HTR3E 3876/4885

“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.