SCHEMBL2816501

SCHEMBL2816501

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.43
LGALS9 O00182 3/20 0.43
LGALS1 P09382 3/20 0.43
LGALS7; LGALS7B P47929 2/20 0.43
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
RNASE1 P07998 1/20 0.37
LGALS4 P56470 1/20 0.37
TSHR P16473 2/20 0.36
LGALS8 O00214 2/20 0.35
NPC1 O15118 1/20 0.35
ABCB1 P08183 3/20 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
SCHEMBL16647467 0.93 LGALS9 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL15241392 0.93 LGALS9 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL13065497 0.89 ALDH1A1 (0.48) ALDH1A1GAANPC1
SCHEMBL13612938 0.84 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL4331140 0.84 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL4331137 0.84 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL4331132 0.84 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL1825014 0.84 ALDH1A1 (0.47) ALDH1A1GAANPC1
SCHEMBL14571165 0.83 ALDH1A1 (0.49) ALDH1A1GAANPC1
SCHEMBL14853799 0.83 ALDH1A1 (0.49) ALDH1A1GAANPC1

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 5 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
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 LGALS3 4270/4885LGALS9 3069/4885LGALS1 4255/4885

“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.