SCHEMBL2576342

SCHEMBL2576342

COC(=O)C(C)CNC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
ATM Q13315 1/20 0.52
KMT2A Q03164 4/20 0.49
GLA P06280 1/20 0.49
MIF P14174 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 1/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MTNR1A P48039 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
SCHEMBL14183940 1.00 ALDH1A1 (0.56) ALDH1A1ATMKMT2AGLAMIF
SCHEMBL4891761 0.90 ATM (0.57) ALDH1A1ATMKMT2AGLAMIF
SCHEMBL4891760 0.90 ATM (0.57) ALDH1A1ATMKMT2AGLAMIF
SCHEMBL14214225 0.87 SMN1; SMN2 (0.44) ALDH1A1ATMCTSLCTSSCTSK
SCHEMBL11989306 0.87 SMN1; SMN2 (0.44) ALDH1A1ATMCTSLCTSSCTSK
SCHEMBL6045377 0.85 LMNA (0.55) ALDH1A1ATMCTSLCTSSCTSK
SCHEMBL6045375 0.85 LMNA (0.55) ALDH1A1ATMCTSLCTSSCTSK
SCHEMBL6045379 0.85 LMNA (0.55) ALDH1A1ATMCTSLCTSSCTSK
SCHEMBL7381205 0.82 ATM (0.57) ALDH1A1ATMKMT2AGLAMIF
SCHEMBL7400596 0.82 ATM (0.57) ALDH1A1ATMKMT2AGLAMIF

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 113 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-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-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 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 ALDH1A1 2859/4885ATM 4588/4885KMT2A 1293/4885
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP ALDH1A1 1555/4885ATM 3793/4885KMT2A 734/4885

“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.