SCHEMBL2582390

SCHEMBL2582390

COc1ccc(S(=O)(=O)N(CC(C)C)C[C@H](O)CNCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.52
MMP13 P45452 2/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP2 P08253 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
CXCR3 P49682 1/20 0.51

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
SCHEMBL2575811 0.90 TAS2R14 (0.49) BACE1MMP13MMP1MMP7MMP8
SCHEMBL2578865 0.88 MMP13 (0.48) MMP13MMP1MMP7MMP8MMP12
SCHEMBL2585363 0.87 MLNR (0.50) BACE1MMP13MMP1MMP8ADAMTS4
SCHEMBL14647093 0.84 BACE1 (0.58) BACE1MMP13MMP1MMP7MMP8
SCHEMBL14844131 0.83 BACE1 (0.45) BACE1
SCHEMBL7956727 0.83 CXCR3 (0.54) BACE1CXCR3
SCHEMBL2578170 0.82 SPPL2A (0.48) MMP13MMP1MMP8ADAMTS4MMP2
SCHEMBL2580459 0.81 BACE1 (0.47) BACE1MMP13MMP1MMP8ADAMTS4
SCHEMBL12621038 0.79 SPPL2A (0.54)
SCHEMBL9287153 0.79 RORC (0.68) BACE1CXCR3

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 66 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 claimed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
JP-3657002-B2 2005-06-08 JP claimed
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 US claimed
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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP claimed
EP-0810209-A2 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-12-03 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO 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-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 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-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
EP-0810209-A2 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
EP-0677048-B1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1997-01-22 EP disclosed
EP-0677048-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-10-18 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994014793-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS G. D. SEARLE & CO. (US) 1994-07-07 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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BACE1 31/4885MMP13 1075/4885MMP1 844/4885
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP BACE1 30/4885MMP13 958/4885MMP1 689/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BACE1 31/4885MMP13 1075/4885MMP1 844/4885

“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.