SCHEMBL6786435

SCHEMBL6786435

CC(C)(C)OC(=O)C1CCCN1C(=O)CCN(CCC(=O)N1CCCC1C(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.52
KLK5 Q9Y337 1/20 0.50
KLK7 P49862 1/20 0.46
FKBP1A P62942 10/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 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
SCHEMBL6786431 1.00 ACE (0.52) ACEKLK5KLK7FKBP1ACPT2
SCHEMBL6787840 0.90 KLK5 (0.52) ACEKLK5KLK7FKBP1ACPT2
SCHEMBL6787852 0.90 KLK5 (0.52) ACEKLK5KLK7FKBP1ACPT2
SCHEMBL6783031 0.88 ACE (0.45) ACEKLK5
SCHEMBL6783024 0.88 ACE (0.45) ACEKLK5
SCHEMBL6789289 0.84 ACE (0.46) ACEKLK5FKBP1A
SCHEMBL6789296 0.84 ACE (0.46) ACEKLK5FKBP1A
SCHEMBL6794177 0.83 KLK5 (0.50) ACEKLK5KLK7FKBP1ACPT2
SCHEMBL6794184 0.83 KLK5 (0.50) ACEKLK5KLK7FKBP1ACPT2
SCHEMBL6785846 0.82 ACE (0.41) ACEKLK5FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740760-B2 SUCH AS 1-((S)-3-MERCAPTO-2-METHYL-PROPIONYL)-(R)-PYRROL-IDINE-2-CARBOXYLIC ACID FOR TREATING DISEASES ASSOCIATED WITH AMYLOIDOSIS (ALZHEIMER'S DISEASE, DIABETES, AND FAMILIAL AMYLOID POLYNEUROPATHY) HOFFMANN-LA ROCHE INC. 2004-05-25 US disclosed
US-20030100770-A1 Such as 1-((S)-3-mercapto-2-methyl-propionyl)-(R)-pyrrol-idine-2-carboxylic acid for treating diseases associated with amyloidosis (Alzheimer's disease, diabetes, and familial amyloid polyneuropathy) PENTRAXIN THERAPEUTICS LTD. (GB) 2003-05-29 US disclosed
US-6512001-B1 To treat diseases associated with amyloidosis, such as Alzheimer's disease HOFFMANN-LA ROCHE INC. 2003-01-28 US disclosed
EP-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP disclosed
US-6103910-A FOR TREATMENT OF DISEASES ASSOCIATED WITH AMYLOIDOSIS, SUCH AS ALZHEIMER'S DISEASE, DIABETES MELLITUS, FAMILIAL AMYLOID POLYNEUROPATHY, SCRAPIE, AND KREUZFELD-JACOB DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US disclosed
EP-0915088-A1 D-Proline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 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 (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-20030100770-A1 Such as 1-((S)-3-mercapto-2-methyl-propionyl)-(R)-pyrrol-idine-2-carboxylic acid for treating diseases associated with amyloidosis (Alzheimer's disease, diabetes, and familial amyloid polyneuropathy) PSEN1, PSEN2, IAPP ACE 1460/4885KLK5 4359/4885KLK7 4732/4885

“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.