SCHEMBL2581276

SCHEMBL2581276

CC(C)CN(c1cccc(C[C@@H](C)CN)c1O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
RORC P51449 7/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
HSD11B1 P28845 1/20 0.37
USP2 O75604 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL2578817 0.88 MMP2 (0.47) KEAP1NFE2L2RORCMMP2MMP13
SCHEMBL8183788 0.88 KEAP1 (0.43) KEAP1NFE2L2RORCMMP2MMP13
SCHEMBL4853866 0.84 RORC (0.44) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL5691126 0.83 KEAP1 (0.39) KEAP1NFE2L2RORCMMP2MMP13
SCHEMBL7447004 0.83 KEAP1 (0.47) KEAP1NFE2L2RORCMMP2MMP13
SCHEMBL13673923 0.83 RORC (0.41) RORCALDH1A1LMNATSHRNPSR1
SCHEMBL7956674 0.83 KEAP1 (0.40) KEAP1NFE2L2RORCMMP2MMP13
SCHEMBL2577609 0.83 RORC (0.43) KEAP1NFE2L2RORCPSEN1PSEN2
SCHEMBL7458622 0.83 RORC (0.45) RORCGAAHPGDALDH1A1LMNA
SCHEMBL7955245 0.82 KEAP1 (0.40) KEAP1NFE2L2RORCMMP2MMP13

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 49 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
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US claimed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 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-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 EP 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-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-08-24 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-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
US-5968970-A TREATMENT OF HIV G. D. SEARLE & COMPANY (US) 1999-10-19 US disclosed
US-5965601-A NOVEL COMPOUNDS FOR INHIBITING REPLICATION OF A RETROVIRUS; TREATING HIV G. D. SEARLE & CO. (US) 1999-10-12 US disclosed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 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 (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 KEAP1 4367/4885NFE2L2 3961/4885RORC 3583/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP KEAP1 4202/4885NFE2L2 3786/4885RORC 3253/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP KEAP1 4367/4885NFE2L2 3961/4885RORC 3583/4885
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP KEAP1 4428/4885NFE2L2 4412/4885RORC 4018/4885

“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.