SCHEMBL2581377

SCHEMBL2581377

CCCCc1cc(OC)ccc1S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 17/20 0.46
▸ BACE1 P56817 10/20 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
Hydrochloric Acid SCHEMBL5928661 0.99 CTSD (0.46) CTSDBACE1
SCHEMBL5928408 0.87 CTSD (0.49) CTSDBACE1
SCHEMBL6526544 0.80 CTSD (0.50) CTSDBACE1
SCHEMBL6528687 0.78 BACE1 (0.48) CTSDBACE1
SCHEMBL6479685 0.75 BCHE (0.41) CTSDBACE1
SCHEMBL4975142 0.75 CTSD (0.45) CTSDBACE1
SCHEMBL5928424 0.74 MTNR1A (0.37) CTSDBACE1
SCHEMBL5981370 0.74 CA1 (0.36) CTSDBACE1
SCHEMBL8900771 0.74 MMP1 (0.46) CTSDBACE1
Hydrochloric Acid SCHEMBL6101036 0.74 CTSD (0.45) CTSDBACE1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 — — US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 — — US disclosed
US-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 — — US disclosed
US-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 — — US disclosed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 — — US disclosed
US-6924286-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-08-02 — — US disclosed
US-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-10-07 — — US disclosed
US-6673822-B2 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2004-01-06 — — US disclosed
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2003-07-10 — — US disclosed
EP-0815124-B1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-12-04 — — EP disclosed
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 — — EP disclosed
US-6143788-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 — — US disclosed
US-6063795-A ENZYME INHIBITORS G.D. SEARLE & COMPANY (US) 2000-05-16 — — US disclosed
US-5972989-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1999-10-26 — — US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 — — US disclosed
EP-0815124-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-01-07 — — EP disclosed
EP-0813543-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 — — EP disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 — — 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 (3 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-20040198989-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CTSD 48/4885BACE1 144/4885
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CTSD 48/4885BACE1 144/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP CTSD 136/4885BACE1 18/4885

“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.

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