SCHEMBL2576341

SCHEMBL2576341

COC(=O)C[C@@H](C)NC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
ALDH1A1 P00352 5/20 0.55
MIF P14174 1/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
HTT P42858 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CACNA1B Q00975 2/20 0.44
ACACB O00763 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
RAB9A P51151 1/20 0.44
TOP2A P11388 1/20 0.44

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
SCHEMBL5981891 1.00 ATM (0.57) ATMALDH1A1MIFCTSLCTSS
SCHEMBL4894959 0.89 ATM (0.61) ATMALDH1A1MIFCTSLCTSS
SCHEMBL6841182 0.86 ATM (0.56) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL8972716 0.86 ATM (0.56) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL9571772 0.81 ATM (0.61) ATMALDH1A1MIFCTSLCTSS
SCHEMBL29137641 0.81 ATM (0.65) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL14370505 0.81 ATM (0.65) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL10441764 0.80 ATM (0.67) ATMALDH1A1MIFCTSLCTSS
SCHEMBL11816446 0.80 ATM (0.67) ATMALDH1A1MIFCTSLCTSS
SCHEMBL6156785 0.80 ALDH1A1 (0.52) ATMALDH1A1MIFHTTKMT2A

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 108 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-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
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 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-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-7232817-B2 α- and β-amino acid hydroxyethlamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-06-19 US disclosed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 WO disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ATM 4588/4885ALDH1A1 2859/4885MIF 750/4885
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP ATM 3793/4885ALDH1A1 1555/4885MIF 1355/4885

“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.