SCHEMBL5440575

SCHEMBL5440575

CC(=O)OC1NC(=O)C1N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CTSK P43235 7/20 0.33
CTSS P25774 6/20 0.33
CTSB P07858 5/20 0.33
CTSL P07711 4/20 0.33

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
SCHEMBL7032979 1.00 POLB (0.35) POLBCTSKCTSSCTSBCTSL
SCHEMBL11452540 1.00 POLB (0.35) POLBCTSKCTSSCTSBCTSL
SCHEMBL11497665 1.00 POLB (0.35) POLBCTSKCTSSCTSBCTSL
SCHEMBL11497664 1.00 POLB (0.35) POLBCTSKCTSSCTSBCTSL
SCHEMBL8104152 0.77 POLB (0.36) POLBCTSKCTSSCTSBCTSL
SCHEMBL7187100 0.77 POLB (0.36) POLBCTSKCTSSCTSBCTSL
SCHEMBL9358907 0.77 POLB (0.38) POLBCTSKCTSSCTSBCTSL
SCHEMBL7187098 0.77 POLB (0.36) POLBCTSKCTSSCTSBCTSL
SCHEMBL9175389 0.77 POLB (0.36) POLBCTSKCTSSCTSBCTSL
SCHEMBL8104148 0.77 POLB (0.36) POLBCTSKCTSSCTSBCTSL

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US disclosed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1997042170-A1 A PROCESS FOR THE PREPARATION OF AZETIDINONES BIOCHIMICA OPOS S.P.A. (IT) 1997-11-13 WO disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed
US-4203896-A WITH MERCURIC ACETATE AND ACETIC ACID, ACIDIC HYDROLYSIS OF N-PROPENYL GROUP ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4144232-A Substituted azetidin-2-one antibiotics ELI LILLY AND COMPANY (US) 1979-03-13 US 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE POLB 1961/4885CTSK 8/4885CTSS 1/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE POLB 1961/4885CTSK 8/4885CTSS 1/4885

“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.