SCHEMBL4914809

SCHEMBL4914809

COc1cccc(-c2ccnc(C3(c4ccc(OS(C)(=O)=O)cc4)NC(=S)N(C)C3=O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
CTSD P07339 2/20 0.37
TYMP P19971 1/20 0.34
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PKM P14618 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
SCHEMBL4784697 0.87 BACE1 (0.39) BACE1BACE2CTSDTYMPBRD4
SCHEMBL4525146 0.87 BACE1 (0.42) BACE1BACE2CTSDTYMPBRD4
SCHEMBL4913673 0.87 BACE1 (0.37) BACE1BACE2CTSDTYMP
SCHEMBL4734194 0.81 BACE1 (0.35) BACE1BACE2CTSDTYMPBRD4
SCHEMBL4516614 0.81 BACE1 (0.44) BACE1BACE2CTSDTYMPBRD4
SCHEMBL4520792 0.81 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL4519240 0.78 BACE1 (0.40) BACE1BACE2CTSD
SCHEMBL4785739 0.78 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL4520245 0.78 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL4520321 0.78 BACE1 (0.43) BACE1BACE2CTSDMEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885CTSD 357/4885

“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.