SCHEMBL6789204

SCHEMBL6789204

COC(CCCCC(OC)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.39
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 4/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 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
SCHEMBL2137285 0.91 GPR84 (0.52) GPR84FFAR1PPARDMAPTLCK
SCHEMBL6789915 0.89 SLC1A3 (0.39) HDAC2PPARDPPARGPPARASLC1A3
SCHEMBL6787830 0.89 SLC1A3 (0.39) HDAC2PPARDPPARGPPARASLC1A3
SCHEMBL2556958 0.89 GPR84 (0.55) GPR84FFAR1PPARDMAPTLCK
SCHEMBL8570324 0.89 GPR84 (0.55) GPR84FFAR1PPARDMAPTLCK
SCHEMBL3858039 0.89 GPR84 (0.55) GPR84FFAR1PPARDMAPTLCK
SCHEMBL5915125 0.89 BLM (0.44) HDAC2GPR84FFAR1PPARDMAPT
SCHEMBL3858716 0.89 GPR84 (0.55) GPR84FFAR1PPARDMAPTLCK
SCHEMBL2550058 0.89 BLM (0.44) HDAC2GPR84FFAR1PPARDMAPT
SCHEMBL2553409 0.89 GPR84 (0.55) GPR84FFAR1PPARDMAPTLCK

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 HDAC2 4616/4885GPR84 4217/4885FFAR1 787/4885

“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.