SCHEMBL5651920

SCHEMBL5651920

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)C(Br)Br

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.64
CTSK P43235 9/20 0.64
CTSB P07858 3/20 0.64
CTSL P07711 1/20 0.64
ACE P12821 1/20 0.61
AKT1 P31749 1/20 0.58
ATM Q13315 1/20 0.56
KLK5 Q9Y337 1/20 0.54
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
ABCB1 P08183 1/20 0.53
APP P05067 1/20 0.52

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
SCHEMBL5651916 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL7269746 0.92 CTSS (0.70) CTSSCTSKCTSBCTSLACE
SCHEMBL20976440 0.88 CTSS (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL6950132 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL7500508 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL6950136 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL67020 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL21473784 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL795685 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL66220 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US disclosed
US-20060135784-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES KANEKA CORPORATION 2006-06-22 US disclosed
US-7057066-B2 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2006-06-06 US disclosed
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound KANEKA CORPORATION (JP) 2004-09-16 US disclosed
EP-1403257-A1 PROCESSES FOR PRODUCING OXAZOLIDINONE DERIVATIVE OF BETA-HYDROXYETHYLAMINE COMPOUND AND FOR PRODUCING BETA-HYDROXYETHYLAMINE COMPOUND KANEKA CORPORATION (JP) 2004-03-31 EP disclosed
US-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives KANEKA CORPORATION (JP) 2004-03-11 US disclosed
EP-1300391-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2003-04-09 EP 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-20040049074-A1 Process for producing 3-amino-2-hydroxypropionic acid derivatives AASDHPPT, HPD, HAAO CTSS 3991/4885CTSK 4195/4885CTSB 3958/4885
US-20060135784-A1 PROCESS FOR PRODUCING 3-AMINO-2-HYDROXYPROPIONIC ACID DERIVATIVES AASDHPPT, HPD, HAAO CTSS 3969/4885CTSK 4195/4885CTSB 3945/4885
US-20040181074-A1 Process for producing oxazolidinone derivative of beta-hydroxyethylamine compound and for producing beta-hydroxyethlamine compound HNMT, PNMT, HRH4 CTSS 4295/4885CTSK 2465/4885CTSB 4082/4885

“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.