SCHEMBL5981669

SCHEMBL5981669

CC(C)CCc1ccccc1S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.42
▸ CTSD P07339 2/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ BCHE P06276 4/20 0.41
▸ SPPL2A Q8TCT8 1/20 0.38
▸ F2 P00734 1/20 0.38

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
SCHEMBL7439104 0.91 BCHE (0.42) BACE1CTSDBCHE
SCHEMBL5981756 0.89 BCHE (0.42) BACE1BCHEF2
SCHEMBL6527142 0.88 BACE1 (0.43) BACE1CTSDBACE2BCHEF2
SCHEMBL6527345 0.88 F2 (0.44) BACE1CTSDBACE2BCHESPPL2A
SCHEMBL6479685 0.88 BCHE (0.41) BACE1CTSDBCHEF2
SCHEMBL6526544 0.87 CTSD (0.50) BACE1CTSDBCHEF2
SCHEMBL6529744 0.86 ITGA4 (0.44) BACE1CTSDBACE2
SCHEMBL6529408 0.82 F2 (0.41) BACE1CTSDBACE2BCHEF2
SCHEMBL6762938 0.81 MEN1 (0.39) F2
SCHEMBL6527555 0.81 BACE1 (0.43) BACE1BACE2BCHEF2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-03-04 — — US claimed
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-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-20020137942-A1 Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-09-26 — — US disclosed
US-6313345-B1 AIDS TREATMENT G. D. SEARLE & CO. 2001-11-06 — — 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 (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-20020137942-A1 Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors PRSS1, DNPEP, PREP BACE1 360/4885CTSD 63/4885BACE2 280/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BACE1 18/4885CTSD 136/4885BACE2 37/4885
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP BACE1 30/4885CTSD 130/4885BACE2 53/4885

“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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