SCHEMBL970304

SCHEMBL970304

CCCC(Br)C(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8430448 0.84 PPARD (0.66) LCKPPARDZDHHC20ZDHHC2TDP1
SCHEMBL97405 0.81 LDHA (0.38) LCKPPARDZDHHC20ZDHHC2HDAC1
SCHEMBL4473150 0.80 ZDHHC7 (0.46) LCKPPARDZDHHC20ZDHHC2HDAC1
SCHEMBL6266183 0.79 LCK (0.48) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL6603806 0.77 GAA (0.54) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL29084203 0.76 HDAC1 (0.56) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL1732518 0.75
SCHEMBL287910 0.75
SCHEMBL1732573 0.75
Dimethylamine SCHEMBL28781213 0.74 LCK (0.59) LCKPPARDZDHHC20ZDHHC2HDAC1

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
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO disclosed
US-7872032-B2 1, 3, 4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PARMACEUTICALS INC. (US) 2011-01-18 US disclosed
US-7638539-B2 1, 3, 4-oxadiazol-2-ones as peroxisome-proliferator activated receptor delta modulators and their use in the treatment of neurological and metabolic disease AVENTIS PHARMACEUTICALS INC. (US) 2009-12-29 US disclosed
US-20090275621-A1 1, 3, 4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2009-11-05 US disclosed
EP-1781648-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS Aventis Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
US-20070099964-A1 1, 3, 4-OXADIAZOL-2-ONES AS PEROXISOME-PROLIFERATOR ACTIVATED RECEPTOR DELTA MODULATORS AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL AND METABOLIC DISEASE AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
WO-2005097763-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO 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 (2 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-20090275621-A1 1, 3, 4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF PPARD, PPARA, PPARG LCK 2020/4885PPARD 1/4885ZDHHC20 512/4885
US-20070099964-A1 1, 3, 4-OXADIAZOL-2-ONES AS PEROXISOME-PROLIFERATOR ACTIVATED RECEPTOR DELTA MODULATORS AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL AND METABOLIC DISEASE PPARD, PPARA, PPARG LCK 2155/4885PPARD 1/4885ZDHHC20 893/4885

“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.