SCHEMBL5433152

SCHEMBL5433152

Cc1ccc(CCNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.49
BCHE P06276 4/20 0.49
SLC6A11 P48066 1/20 0.49
CTSD P07339 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL5433149 1.00 BACE1 (0.49) BACE1BCHESLC6A11CTSDBACE2
SCHEMBL3348148 0.94 BACE1 (0.54) BACE1BCHESLC6A11CTSDBACE2
SCHEMBL3348155 0.94 BACE1 (0.54) BACE1BCHESLC6A11CTSDBACE2
SCHEMBL7607684 0.89 BACE1 (0.48) BACE1BCHESLC6A11CTSDBACE2
SCHEMBL7612412 0.89 KDM4E (0.53) BACE1BCHESLC6A11CTSDBACE2
SCHEMBL5438880 0.88 GAA (0.60) BACE1BCHECTSDPLAAT3PLAAT5
SCHEMBL5438887 0.88 GAA (0.60) BACE1BCHECTSDPLAAT3PLAAT5
SCHEMBL3905271 0.87 BACE1 (0.64) BACE1BCHESLC6A11BACE2
SCHEMBL3916486 0.87 BACE1 (0.64) BACE1BCHESLC6A11BACE2
SCHEMBL3916485 0.87 BACE1 (0.64) BACE1BCHESLC6A11BACE2

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-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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 (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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BCHE 12/4885SLC6A11 1555/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885BCHE 8/4885SLC6A11 809/4885

“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.