SCHEMBL2581362

SCHEMBL2581362

COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C[C@@H](C)CN)c2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 9/20 0.47
NFE2L2 Q16236 7/20 0.47
RORC P51449 4/20 0.41
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.40
BMP1 P13497 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
NR1H2 P55055 1/20 0.39
ESR1 P03372 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
SCHEMBL4853866 0.89 RORC (0.44) RORCBCL2L1MCL1ESR1
SCHEMBL2577609 0.89 RORC (0.43) KEAP1NFE2L2RORCBCL2L1MCL1
SCHEMBL7458622 0.88 RORC (0.45) RORCGAABCL2L1MCL1NR1H2
SCHEMBL8370091 0.88 KEAP1 (0.45) KEAP1NFE2L2RORCGAABCL2L1
SCHEMBL13673923 0.84 RORC (0.41) RORCBCL2L1MCL1
SCHEMBL7257038 0.83 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL7452491 0.81 KEAP1 (0.50) KEAP1NFE2L2RORCBCL2L1MCL1
SCHEMBL2581276 0.81 KEAP1 (0.44) KEAP1NFE2L2RORCGAA
SCHEMBL5996194 0.80 CYP2C8 (0.40) KEAP1NFE2L2RORCGAABCL2L1
SCHEMBL7456019 0.79 PTGER1 (0.41) KEAP1NFE2L2BMP1MCL1

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 43 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 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-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-7115618-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-10-03 US disclosed
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-08-24 US disclosed
US-6143788-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
US-6140505-A REACTING A BENZO FUSED HETEROCYCLIC COMPOUND WITH AN SO3 COMPLEX IN THE PRESENCE OF A WATER IMMISCIBLE, NON-REACTIVE SOLVENT, AT A TEMPERATURE OF FROM ABOUT 0 TO ABOUT 75 DEGREES C., COOLING AND THEN ADDING OXALYL HALIDE. G. D. SEARLE & CO. (US) 2000-10-31 US disclosed
US-6063795-A ENZYME INHIBITORS G.D. SEARLE & COMPANY (US) 2000-05-16 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 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-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 (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-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP KEAP1 3660/4885NFE2L2 4344/4885RORC 3585/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP KEAP1 4202/4885NFE2L2 3786/4885RORC 3253/4885
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.