SCHEMBL3178571

SCHEMBL3178571

CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CNCc1ccc(Br)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.58
CTSD P07339 5/20 0.54
CTSB P07858 3/20 0.44
BACE2 Q9Y5Z0 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3178567 1.00 BACE1 (0.58) BACE1CTSDCTSBBACE2ATM
SCHEMBL3178543 0.88 BACE1 (0.68) BACE1CTSDCTSBBACE2
SCHEMBL3178533 0.88 BACE1 (0.68) BACE1CTSDCTSBBACE2
SCHEMBL13307745 0.86 BACE1 (0.59) BACE1CTSDCTSBBACE2ATM
SCHEMBL13306616 0.85 BACE1 (0.68) BACE1CTSDCTSB
SCHEMBL3355052 0.85 BACE1 (0.68) BACE1CTSDCTSB
SCHEMBL13334080 0.85 BACE1 (0.66) BACE1CTSDCTSBBACE2
SCHEMBL13307641 0.85 BACE1 (0.68) BACE1CTSDCTSB
SCHEMBL3349885 0.84 BACE1 (0.65) BACE1CTSDCTSBBACE2ATM
SCHEMBL14201296 0.84 BACE1 (0.68) BACE1CTSDCTSBBACE2

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
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 US disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US 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 (5 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP BACE1 1/4885CTSD 185/4885CTSB 110/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP BACE1 1/4885CTSD 107/4885CTSB 73/4885
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP BACE1 5/4885CTSD 95/4885CTSB 56/4885
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 BACE1 1/4885CTSD 311/4885CTSB 240/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP BACE1 1/4885CTSD 185/4885CTSB 110/4885

“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.