SCHEMBL5431129

SCHEMBL5431129

C[C@@H](CO)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
BACE1 P56817 8/20 0.47
SLC6A11 P48066 1/20 0.46
CTSD P07339 1/20 0.46
BACE2 Q9Y5Z0 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
SCHEMBL6887167 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL5431126 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL5435426 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL5435423 1.00 BCHE (0.50) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL14636685 0.87 BCHE (0.53) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL14637748 0.87 BCHE (0.53) BCHENPC1RAB9ABACE1SLC6A11
SCHEMBL7610959 0.85 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL27592784 0.85 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL7610965 0.85 CYP3A4 (0.49) BCHEBACE1SLC6A11
SCHEMBL5444846 0.84 BCHE (0.71) BCHEBACE1SLC6A11

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 BCHE 12/4885NPC1 64/4885RAB9A 2548/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885NPC1 68/4885RAB9A 1854/4885

“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.