SCHEMBL4567212

SCHEMBL4567212

C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 5/20 1.00
CTSD P07339 2/20 1.00
APP P05067 1/20 1.00

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
SCHEMBL29470573 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL20899826 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL21527047 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL3510626 0.91 BACE1 (0.91) BACE1BACE2CTSDAPP
SCHEMBL4218322 0.91 BACE1 (0.91) BACE1BACE2CTSDAPP
SCHEMBL4211734 0.91 BACE1 (0.91) BACE1BACE2CTSDAPP
SCHEMBL5029248 0.90 BACE1 (0.81) BACE1BACE2CTSDAPP
SCHEMBL4211890 0.90 BACE1 (0.81) BACE1BACE2CTSDAPP
SCHEMBL4216477 0.87 BACE1 (0.84) BACE1BACE2CTSDAPP
SCHEMBL4208397 0.87 BACE1 (0.82) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240241124-A1 SENSOR Esya Limited (GB) 2024-07-18 US disclosed
US-11559528-B2 BACE1 inhibition for the treatment of cancer THE CLEVELAND CLINIC FOUNDATION (US) 2023-01-24 US disclosed
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER THE CLEVELAND CLINIC FOUNDATION 2021-03-11 US disclosed
US-20150335614-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR PHOLORONOL INC (US) 2015-11-26 US disclosed
US-20150335614-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR PHOLORONOL INC (US) 2015-11-26 US disclosed
US-20130196976-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR Phloronol, Inc. (US) 2013-08-01 US disclosed
US-20130196976-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR Phloronol, Inc. (US) 2013-08-01 US disclosed
US-20120122822-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR Phloronol, Inc. (US) 2012-05-17 US disclosed
US-20120122822-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR Phloronol, Inc. (US) 2012-05-17 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO 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 (6 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-11559528-B2 BACE1 inhibition for the treatment of cancer BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 91/4885
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 91/4885
US-20130196976-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 87/4885
US-20120122822-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 87/4885
US-20150335614-A1 COMPOSITIONS FOR REDUCING BETA-AMYLOID-INDUCED NEUROTOXICITY COMPRISING BETA-SECRETASE INHIBITOR BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 87/4885
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 139/4885

“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.