SCHEMBL20567928

SCHEMBL20567928

CC(C)CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1C(O)C(O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEU1 Q99519 16/20 1.00
NEU2 Q9Y3R4 13/20 1.00
NEU3 Q9UQ49 9/20 0.79
NEU4 Q8WWR8 8/20 0.79

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
SCHEMBL22276777 1.00 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL22276781 1.00 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL6018122 1.00 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL22043149 0.91 NEU1 (0.83) NEU1NEU2NEU3NEU4
SCHEMBL22276967 0.89 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL20567957 0.89 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL22276965 0.89 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL22276780 0.88 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL20568234 0.88 NEU1 (1.00) NEU1NEU2NEU3NEU4
SCHEMBL22276784 0.88 NEU1 (1.00) NEU1NEU2NEU3NEU4

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
US-20220110919-A1 METHODS OF MODULATING LEUKOCYTES ACTIVATION AND THROMBOCYTE CLEARANCE WITH INHIBITORS OF SPECIFIC NEURAMINIDASE ISOENZYMES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-14 US disclosed
EP-3886836-A1 METHODS OF MODULATING LEUKOCYTES ACTIVATION AND THROMBOCYTE CLEARANCE WITH INHIBITORS OF SPECIFIC NEURAMINIDASE ISOENZYMES The Governors of the University of Alberta (CA) 2021-10-06 EP disclosed
US-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2020-07-30 US disclosed
WO-2020107124-A1 METHODS OF MODULATING LEUKOCYTES ACTIVATION AND THROMBOCYTE CLEARANCE WITH INHIBITORS OF SPECIFIC NEURAMINIDASE ISOENZYMES PCHEJETSKI ALEXEY (CA) 2020-06-04 WO disclosed
EP-3630740-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE The Governors of the University of Alberta (CA) 2020-04-08 EP disclosed
WO-2018213933-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-11-29 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 (2 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-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE NEU1, NEU3, NEU2 NEU1 1/4885NEU2 3/4885NEU3 2/4885
US-20220110919-A1 METHODS OF MODULATING LEUKOCYTES ACTIVATION AND THROMBOCYTE CLEARANCE WITH INHIBITORS OF SPECIFIC NEURAMINIDASE ISOENZYMES NEU1, NEU4, NEU3 NEU1 1/4885NEU2 5/4885NEU3 3/4885

“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.