SCHEMBL2576895

SCHEMBL2576895

COc1ccc(S(=O)(=O)[C@H](NC[C@H](O)[CH]Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.47
MMP2 P08253 10/20 0.47
MMP3 P08254 9/20 0.47
PDE4A P27815 8/20 0.47
PDE4B Q07343 8/20 0.47
PDE4C Q08493 8/20 0.47
PDE4D Q08499 8/20 0.47
MMP13 P45452 3/20 0.47
MMP9 P14780 2/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
BMP1 P13497 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7453483 0.90 ALDH1A1 (0.38) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL2582026 0.88 ESR1 (0.36) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7453537 0.87 PRMT1 (0.37) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7459208 0.87 POLB (0.38) MMP1MMP2MMP3MMP13MMP9
SCHEMBL8024734 0.87 PRMT1 (0.37) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL13673910 0.85 MMP2 (0.43) MMP2MMP3MMP13MMP9ALDH1A1
SCHEMBL2585365 0.84 KMT2A (0.42) MMP1MMP2MMP3MMP13MMP9
SCHEMBL7453235 0.82 PRMT1 (0.40) ALDH1A1POLB
SCHEMBL7456132 0.80 ALDH1A1 (0.48) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL2578162 0.79 CYP19A1 (0.42) MMP1MMP2MMP13MMP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed
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-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-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-03-04 US disclosed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US disclosed
US-6417387-B1 IN PARTICULAR AS INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-07-09 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-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP 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 (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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MMP1 844/4885MMP2 671/4885MMP3 397/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MMP1 810/4885MMP2 658/4885MMP3 350/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MMP1 844/4885MMP2 671/4885MMP3 397/4885
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP MMP1 689/4885MMP2 491/4885MMP3 333/4885

“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.