SCHEMBL5411977

SCHEMBL5411977

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CYP2D6 P10635 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
REN P00797 5/20 0.47
BACE1 P56817 3/20 0.45
KLK5 Q9Y337 1/20 0.45

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
SCHEMBL11043050 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL10535982 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL11137675 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL6519145 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL7828875 1.00 CA1 (0.54) CA1CA2CA7CYP2D6CTSL
SCHEMBL10537924 0.87 REN (0.57) CA1CA2CA7CYP2D6REN
SCHEMBL10977303 0.87 CA1 (0.53) CA1CA2CA7CYP2D6REN
SCHEMBL764842 0.87 REN (0.57) CA1CA2CA7CYP2D6REN
SCHEMBL8270788 0.86 CA1 (0.49) CA1CA2CA7CYP2D6CTSL
SCHEMBL10573647 0.85 CA1 (0.51) CA1CA2CA7CYP2D6REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-7238774-B2 Statine derivatives for the treatment of Alzheimer's disease III BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-03 US disclosed
WO-2006050862-A1 STATINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 WO disclosed
US-20060100158-A1 Statine derivatives for the treatment of Alzheimer's disease III BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US disclosed
CN-1390232-A Human beta-secretase enzyme, inhibitor, and its composition and use ELAN PHARM INC (US) 2003-01-08 CN disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4816598-A 4-Amino-butanoic acid derivatives SANOFI (FR) 1989-03-28 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
US-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 US disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0184855-A2 Resin inhibiting compounds ABBOTT LABORATORIES (US) 1986-06-18 EP disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 EP disclosed
US-4397786-A Method of preparing statine and derivatives MERCK & CO., INC. (US) 1983-08-09 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 (1 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-20060100158-A1 Statine derivatives for the treatment of Alzheimer's disease III HMGCR, LDLR, PCSK9 CA1 3277/4885CA2 4584/4885CA7 3941/4885

“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.