SCHEMBL6787296

SCHEMBL6787296

COCCN(CC(=O)N1CCCC1C(=O)OC(C)(C)C)CC(=O)N1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.39
ACE P12821 2/20 0.38
ROCK2 O75116 1/20 0.38
FKBP1A P62942 5/20 0.38
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL6787288 1.00 KLK5 (0.39) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL6787642 0.89 ACE (0.41) KLK5ACEROCK2FKBP1ASMN1; SMN2
SCHEMBL6787634 0.89 ACE (0.41) KLK5ACEROCK2FKBP1ASMN1; SMN2
SCHEMBL6785804 0.85 FKBP1A (0.38) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL6785807 0.85 FKBP1A (0.38) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL24749796 0.80 KLK5 (0.43) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL29149471 0.80 KLK5 (0.43) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL7256996 0.79 HSD17B10 (0.43) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL7256995 0.79 HSD17B10 (0.43) KLK5ACEROCK2FKBP1AHSD17B10
SCHEMBL6783598 0.79 HSD17B10 (0.43) KLK5ACEROCK2FKBP1AHSD17B10

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-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-6262089-B1 USING THESE COMPOUNDS TO TREAT DISEASES ASSOCIATED WITH AMYLOIDOSIS, SUCH AS ALZHEIMER'S DISEASE, MATURITY ONSET DIABETES MELLITUS, FAMILIAL AMYLOID POLYNEUROPATHY, SCRAPIE, AND KREUZFELD-JACOB DISEASE. HOFFMAN-LA ROCHE INC. 2001-07-17 US 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 KLK5 4359/4885ACE 1460/4885ROCK2 1579/4885

“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.