SCHEMBL4916767

SCHEMBL4916767

CCCc1nn(C)c2c(=O)n(CCOc3cccc(O[C@](C)(CC)C(=O)OC)c3)c(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
PDE5A O76074 13/20 0.38
PDE6C P51160 1/20 0.38
MTOR P42345 1/20 0.37
HDAC1 Q13547 8/20 0.36
HDAC6 Q9UBN7 8/20 0.36
HDAC2 Q92769 7/20 0.36
ADORA2A P29274 1/20 0.35
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE1C Q14123 1/20 0.34
HDAC3 O15379 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL3842581 1.00 PPARA (0.39) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3842226 1.00 PPARA (0.39) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3841608 0.94 PPARA (0.45) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL4918197 0.92 PPARA (0.40) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3847412 0.92 PPARA (0.40) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3839151 0.92 PPARA (0.40) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3842965 0.88 PDE5A (0.38) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3842964 0.88 PDE5A (0.38) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3845740 0.88 PDE5A (0.38) PPARAPDE5APDE6CMTORHDAC1
SCHEMBL3838771 0.87 PPARA (0.42) PPARAPDE5APDE6CMTORHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US 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-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG PPARA 1/4885PDE5A 1657/4885PDE6C 2915/4885

“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.