SCHEMBL7613784

SCHEMBL7613784

COc1cc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.56
BACE1 P56817 9/20 0.55
CTSD P07339 5/20 0.54
SLC6A11 P48066 1/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL7613771 1.00 BCHE (0.56) BCHEBACE1CTSDSLC6A11TRPV1
SCHEMBL7613744 0.87 BCHE (0.58) BCHEBACE1CTSDSLC6A11
SCHEMBL7613758 0.87 BCHE (0.58) BCHEBACE1CTSDSLC6A11
SCHEMBL7611860 0.87 BACE1 (0.57) BCHEBACE1CTSDSLC6A11
SCHEMBL7611853 0.87 BACE1 (0.57) BCHEBACE1CTSDSLC6A11
SCHEMBL6891428 0.87 BACE1 (0.57) BCHEBACE1CTSDSLC6A11
SCHEMBL3354210 0.84 BCHE (0.77) BCHEBACE1CTSD
SCHEMBL3354218 0.84 BCHE (0.77) BCHEBACE1CTSD
SCHEMBL6896962 0.84 BCHE (0.77) BCHEBACE1CTSD
SCHEMBL3510079 0.84 BCHE (0.77) BCHEBACE1CTSD

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 1 patent. 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

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BCHE 12/4885BACE1 4/4885CTSD 2080/4885

“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.