SCHEMBL6784181

SCHEMBL6784181

O=C(Cc1ccc(CC(=O)OCc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.96
MAPK1 P28482 1/20 0.96
L3MBTL1 Q9Y468 1/20 0.96
PAM P19021 1/20 0.66
ENPP2 Q13822 1/20 0.58
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
LIPE Q05469 1/20 0.53
TSHR P16473 1/20 0.53
MGLL Q99685 2/20 0.53
CASP1 P29466 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52

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
SCHEMBL361779 0.98 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL57331 0.94 ALDH1A1 (0.85) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL31245908 0.94 ALDH1A1 (0.85) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL27499661 0.94 ALDH1A1 (0.92) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL8117331 0.93 ALDH1A1 (0.82) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL4675591 0.91 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL18430348 0.91 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL224663 0.91 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL22211316 0.91 ALDH1A1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2
SCHEMBL9880917 0.91 L3MBTL1 (0.79) ALDH1A1MAPK1L3MBTL1PAMENPP2

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 ALDH1A1 175/4885MAPK1 565/4885L3MBTL1 3105/4885

“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.