SCHEMBL5981756

SCHEMBL5981756

CCCc1ccccc1S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.42
▸ BACE1 P56817 6/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ SLC6A11 P48066 1/20 0.39
▸ F2 P00734 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6479685 0.94 BCHE (0.41) BCHEBACE1CA12CA9SLC6A11
SCHEMBL5981669 0.89 BACE1 (0.42) BCHEBACE1F2
SCHEMBL7439104 0.81 BCHE (0.42) BCHEBACE1
SCHEMBL2577612 0.80 CA12 (0.39) CA12CA9F2MEN1MAPT
SCHEMBL13673897 0.80 METAP2 (0.39) CA12CA9F2MEN1MAPT
SCHEMBL6529408 0.79 F2 (0.41) BCHEBACE1F2
SCHEMBL6527555 0.79 BACE1 (0.43) BCHEBACE1F2KMT2ASMN1; SMN2
SCHEMBL6526643 0.79 F2 (0.46) BCHEBACE1F2
SCHEMBL6527345 0.78 F2 (0.44) BCHEBACE1F2
SCHEMBL6527142 0.78 BACE1 (0.43) BCHEBACE1F2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 — — US disclosed
US-6248775-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2001-06-19 — — US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 — — 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 (2 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BCHE 153/4885BACE1 31/4885CA12 1603/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BCHE 175/4885BACE1 18/4885CA12 1843/4885

“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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