SCHEMBL6788581

SCHEMBL6788581

O=C(OCc1ccccc1)C1CCCN1C(=O)c1ccc(C(=O)N2CCCC2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.63
SPHK2 Q9NRA0 2/20 0.60
SPHK1 Q9NYA1 1/20 0.60
ALDH1A1 P00352 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
PREP P48147 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
SCHEMBL6788577 1.00 FKBP1A (0.63) FKBP1ASPHK2SPHK1ALDH1A1KLK7
SCHEMBL6291342 0.92 FKBP1A (0.57) FKBP1ASPHK2SPHK1KLK7KLK5
SCHEMBL6787446 0.91 FKBP1A (0.60) FKBP1ASPHK2SPHK1
SCHEMBL6787454 0.91 FKBP1A (0.60) FKBP1ASPHK2SPHK1
SCHEMBL28351585 0.88 FKBP1A (0.67) FKBP1AKLK7KLK5PREP
SCHEMBL11443635 0.88 FKBP1A (0.67) FKBP1AKLK7KLK5PREP
SCHEMBL6788992 0.87 FKBP1A (0.61) FKBP1AKLK7KLK5PREP
SCHEMBL6788231 0.87 FKBP1A (0.61) FKBP1ASPHK2SPHK1KLK7KLK5
SCHEMBL6788988 0.87 FKBP1A (0.61) FKBP1AKLK7KLK5PREP
SCHEMBL6788224 0.87 FKBP1A (0.61) FKBP1ASPHK2SPHK1KLK7KLK5

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 FKBP1A 309/4885SPHK2 966/4885SPHK1 981/4885

“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.