SCHEMBL5097045

SCHEMBL5097045

CS(=O)(=O)Oc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N3CCN=C32)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.59
CTSD P07339 11/20 0.59
BACE2 Q9Y5Z0 10/20 0.59
CTSE P14091 1/20 0.53
REN P00797 1/20 0.49

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
SCHEMBL5096678 0.95 BACE1 (0.67) BACE1CTSDBACE2CTSEREN
SCHEMBL5090802 0.91 BACE1 (0.57) BACE1CTSDBACE2CTSEREN
SCHEMBL5090833 0.89 BACE1 (0.61) BACE1CTSDBACE2CTSEREN
SCHEMBL4891033 0.88 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4884863 0.88 BACE1 (0.64) BACE1CTSDBACE2REN
SCHEMBL5094480 0.87 BACE1 (0.79) BACE1CTSDBACE2REN
SCHEMBL4880356 0.87 BACE1 (0.70) BACE1CTSDBACE2REN
SCHEMBL5096664 0.85 BACE1 (0.75) BACE1CTSDBACE2REN
SCHEMBL5097081 0.85 BACE1 (0.63) BACE1CTSDBACE2CTSEREN
SCHEMBL5103020 0.84 BACE1 (0.64) BACE1CTSDBACE2REN

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 6/4885CTSD 2053/4885BACE2 20/4885

“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.