SCHEMBL6950136

SCHEMBL6950136

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C(Cl)Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.64
CTSK P43235 7/20 0.64
CTSB P07858 2/20 0.64
CTSL P07711 2/20 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
REN P00797 1/20 0.51

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
SCHEMBL7500508 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL6950132 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL7269746 0.92 CTSS (0.70) CTSSCTSKCTSBCTSLACE
SCHEMBL20976440 0.88 CTSS (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL5651916 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL5651920 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL21473784 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL66220 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL67020 0.86 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL606309 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6639094-B2 Process for producing α-aminoketone derivatives AJINOMOTO CO., INC. (JP) 2003-10-28 US disclosed
EP-1348691-A1 PROCESS FOR PRODUCING ALPHA-AMINOHALOMETHYL KETONE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-10-01 EP disclosed
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6538160-B2 Process for producing α-aminohalomethyl ketone derivatives AJINOMOTO CO., INC. (JP) 2003-03-25 US disclosed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
US-20020035296-A1 Process for producing alpha-aminohalomethyl ketone derivatives AJINOMOTO CO., INC. (JP) 2002-03-21 US disclosed
US-20020026081-A1 Process for producing alpha-aminoketone derivatives AJINOMOTO CO., INC. (JP) 2002-02-28 US disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 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 (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-20020026081-A1 Process for producing alpha-aminoketone derivatives AADAT, BCKDK, BCAT1 CTSS 3207/4885CTSK 712/4885CTSB 2820/4885
US-20020035296-A1 Process for producing alpha-aminohalomethyl ketone derivatives BCKDK, ALDH7A1, ABAT CTSS 2843/4885CTSK 830/4885CTSB 2580/4885

“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.