SCHEMBL14922893

SCHEMBL14922893

C=C(CN=[N+]=[N-])C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 2/20 0.31
ALOX15 P16050 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HIF1A Q16665 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL17425345 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL27846646 0.80 THRB (0.42) ALDH1A1TSHRMAPTGLO1LMNA
SCHEMBL19751920 0.76 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL13431922 0.76
Methacrylic Acid SCHEMBL27846647 0.74 GAA (0.41) ALDH1A1TSHRLMNAHSD17B10THRB
SCHEMBL26079069 0.73 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL9676716 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL18625561 0.71 MAPT (0.40) ALDH1A1MAPTLMNAEGLN1SMN1; SMN2
SCHEMBL18625563 0.71 MAPT (0.40) ALDH1A1MAPTLMNAEGLN1SMN1; SMN2
SCHEMBL4829385 0.71

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-2793900-B1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING SA (CH) 2018-08-22 EP disclosed
CN-104321060-B Alpha-amino boronic acid derivative, selective immunoproteasome inhibitor 阿雷斯贸易股份有限公司 2018-08-07 CN disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US disclosed
CN-104321060-A Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA 2015-01-28 CN disclosed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 US disclosed
EP-2793900-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS Ares Trading S.A. (CH) 2014-10-29 EP disclosed
WO-2013092979-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING S.A. (CH) 2013-06-27 WO disclosed
EP-2589495-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING ORIGINAL PLATE FOR LASER ENGRAVING, METHOD FOR PRODUCING THE RELIEF PRINTING ORIGINAL PLATE FOR LASER ENGRAVING, RELIEF PRINTING PLATE, AND METHOD FOR PRODUCING THE RELIEF PRINTING PLATE Fujifilm Corporation (JP) 2013-05-08 EP 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-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 ALDH1A1 2975/4885TSHR 4668/4885MAPT 1608/4885

“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.