SCHEMBL3446306

SCHEMBL3446306

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.64
BACE2 Q9Y5Z0 11/20 0.64
CTSD P07339 5/20 0.60
APP P05067 1/20 0.60

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
SCHEMBL3510224 1.00 BACE1 (0.64) BACE1BACE2CTSDAPP
SCHEMBL3510372 0.91 BACE1 (0.62) BACE1BACE2CTSDAPP
SCHEMBL4218263 0.91 BACE1 (0.62) BACE1BACE2CTSDAPP
SCHEMBL2248494 0.90 BACE1 (0.71) BACE1BACE2
SCHEMBL13228791 0.90 BACE2 (0.61) BACE1BACE2CTSDAPP
SCHEMBL4206841 0.90 BACE2 (0.61) BACE1BACE2CTSDAPP
SCHEMBL8238978 0.89 BACE1 (0.55) BACE1BACE2CTSDAPP
SCHEMBL13229615 0.88 BACE1 (0.55) BACE1BACE2CTSDAPP
SCHEMBL13229347 0.87 BACE1 (0.51) BACE1BACE2CTSDAPP
SCHEMBL8249481 0.84 BACE1 (0.88) 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066488-A1 Inhibitors of Memapsin 2 Cleavage for the Treatment of Alzheimer's Disease PURDUE RESEARCH FOUNDATION (US) 2014-03-06 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 US disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
EP-1942101-A1 SECRETASE INHIBITOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-09 EP disclosed
US-7348356-B2 Phenylcarboxamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348356-B2 Phenylcarboxamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348448-B2 Phenylcarboxylate beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-7348448-B2 Phenylcarboxylate beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2005004803-A2 PHENYLCARBOXYLATE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-01-20 WO disclosed
WO-2004043916-A1 PHENYLCARBOXAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2004-05-27 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 (4 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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP BACE1 1/4885BACE2 2/4885CTSD 39/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 27/4885
US-20140066488-A1 Inhibitors of Memapsin 2 Cleavage for the Treatment of Alzheimer's Disease PSEN2, BACE2, PSEN1 BACE1 5/4885BACE2 2/4885CTSD 209/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 27/4885

“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.