SCHEMBL4913673

SCHEMBL4913673

COc1cccc(-c2cc(C3(c4ccc(OS(C)(=O)=O)cc4)NC(=S)N(C)C3=O)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
MAPKAPK2 P49137 2/20 0.37
CTSD P07339 1/20 0.37
TGFBR1 P36897 1/20 0.34
TYMP P19971 1/20 0.33
WNK1 Q9H4A3 1/20 0.33
CYP19A1 P11511 1/20 0.32
MAOB P27338 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
SCHEMBL8198405 0.90 BACE1 (0.33) BACE1BACE2CTSD
SCHEMBL4525146 0.88 BACE1 (0.42) BACE1BACE2CTSDTYMP
SCHEMBL4733576 0.88 BACE1 (0.39) BACE1BACE2MAPKAPK2CTSDTGFBR1
SCHEMBL4781470 0.87 BACE1 (0.40) BACE1BACE2CTSDTYMP
SCHEMBL4914809 0.87 BACE1 (0.37) BACE1BACE2CTSDTYMP
SCHEMBL4516614 0.82 BACE1 (0.44) BACE1BACE2CTSDTYMP
SCHEMBL4906480 0.82 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL4783126 0.81 BACE1 (0.37) BACE1BACE2CTSD
SCHEMBL4520245 0.81 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL4520321 0.79 BACE1 (0.43) BACE1BACE2CTSD

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 3 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
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 2/4885MAPKAPK2 546/4885

“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.