SCHEMBL5090871

SCHEMBL5090871

COc1cncc(-c2cccc(C3(c4ccc(OS(=O)(=O)C(C)C)cc4)N=C(N)N4CCN=C43)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.61
BACE2 Q9Y5Z0 9/20 0.61
CTSD P07339 8/20 0.61
CTSE P14091 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4883377 0.93 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL5090802 0.90 BACE1 (0.57) BACE1BACE2CTSDCTSE
SCHEMBL4890144 0.86 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL4881953 0.85 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL5096642 0.84 BACE1 (0.68) BACE1BACE2CTSDCTSE
SCHEMBL4891033 0.83 BACE1 (0.61) BACE1BACE2CTSD
Acetic Acid SCHEMBL5090819 0.83 BACE1 (0.67) BACE1BACE2CTSDCTSE
SCHEMBL4883558 0.82 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL5090824 0.81 BACE1 (0.64) BACE1BACE2CTSDCTSE
SCHEMBL5097100 0.81 BACE1 (0.71) BACE1BACE2CTSD

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-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US claimed
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 (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-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.