SCHEMBL6785807

SCHEMBL6785807

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.38
KLK5 Q9Y337 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.37
ACE P12821 1/20 0.36
ROCK2 O75116 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6785804 1.00 FKBP1A (0.38) FKBP1AKLK5MEN1KMT2AL3MBTL1
SCHEMBL6787213 0.88 FKBP1A (0.36) FKBP1AKLK5MEN1KMT2AL3MBTL1
SCHEMBL6787218 0.88 FKBP1A (0.36) FKBP1AKLK5MEN1KMT2AL3MBTL1
SCHEMBL6787288 0.85 KLK5 (0.39) FKBP1AKLK5HSD17B10EPHX2ACE
SCHEMBL6787296 0.85 KLK5 (0.39) FKBP1AKLK5HSD17B10EPHX2ACE
SCHEMBL10723914 0.80 PARP1 (0.44) FKBP1AHSD17B10ACESMN1; SMN2
SCHEMBL14045138 0.80 FKBP1A (0.45) FKBP1AKLK5HSD17B10ACEROCK2
SCHEMBL196944 0.80 FKBP1A (0.45) FKBP1AKLK5HSD17B10ACEROCK2
SCHEMBL6785846 0.80 ACE (0.41) FKBP1AKLK5HSD17B10ACESMN1; SMN2
SCHEMBL6785852 0.80 ACE (0.41) FKBP1AKLK5HSD17B10ACESMN1; SMN2

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
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 FKBP1A 309/4885KLK5 4359/4885MEN1 764/4885

“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.