SCHEMBL4891961

SCHEMBL4891961

COc1cccc(-c2cccc(C3(c4cccc(OS(C)(=O)=O)c4)N=C(N)N4CCCN=C43)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
BACE2 Q9Y5Z0 11/20 0.71
CTSD P07339 9/20 0.64
APP P05067 1/20 0.50
REN P00797 1/20 0.48

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
SCHEMBL4883724 0.96 BACE1 (0.67) BACE1BACE2CTSDAPPREN
SCHEMBL4892332 0.95 BACE1 (0.69) BACE1BACE2CTSDAPPREN
SCHEMBL4894769 0.92 BACE1 (0.84) BACE1BACE2CTSDAPPREN
Acetic Acid SCHEMBL4881884 0.91 BACE1 (0.66) BACE1BACE2CTSDAPPREN
SCHEMBL8222048 0.90 BACE1 (0.67) BACE1BACE2CTSDAPP
SCHEMBL4883814 0.90 BACE1 (0.70) BACE1BACE2CTSDAPPREN
SCHEMBL4888134 0.90 BACE1 (0.65) BACE1BACE2CTSDAPPREN
SCHEMBL4891198 0.90 BACE1 (0.59) BACE1BACE2CTSDAPPREN
SCHEMBL4884640 0.90 BACE1 (0.66) BACE1BACE2CTSDAPPREN
Hydrochloric Acid SCHEMBL4246821 0.90 BACE1 (0.66) BACE1BACE2CTSDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US claimed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US claimed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 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-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT BACE1 5/4885BACE2 19/4885CTSD 1887/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT BACE1 6/4885BACE2 20/4885CTSD 2053/4885

“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.