SCHEMBL4262818

SCHEMBL4262818

CCc1cccc(CC(C)NC[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.52
CTSD P07339 4/20 0.51
CTSB P07858 10/20 0.48
BACE2 Q9Y5Z0 2/20 0.45

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
SCHEMBL3351689 0.85 BACE1 (0.67) BACE1CTSDCTSBBACE2
SCHEMBL3351683 0.85 BACE1 (0.67) BACE1CTSDCTSBBACE2
SCHEMBL3162119 0.80 CTSD (0.70) BACE1CTSD
SCHEMBL3162112 0.80 CTSD (0.70) BACE1CTSD
SCHEMBL5229148 0.80 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL5222034 0.79 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL5222041 0.79 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL5221442 0.78 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL5221435 0.78 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL3355039 0.78 BACE1 (0.78) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 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 (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-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 BACE1 1/4885CTSD 311/4885CTSB 240/4885

“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.