SCHEMBL4921723

SCHEMBL4921723

CCCc1nn(CC)c2c(=O)n(CCOc3ccc(SC(C)(C)C(=O)O)cc3)c(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
PPARA Q07869 2/20 0.34
ADORA2A P29274 1/20 0.33
MAPK14 Q16539 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
TBXAS1 P24557 2/20 0.31
UBE2N P61088 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4922407 0.96 ADORA2A (0.34) PKMPPARAADORA2AMAPK14SLC22A12
SCHEMBL4920281 0.92 PKM (0.33) PKMPPARAADORA2AMAPK14SMN1; SMN2
SCHEMBL4916708 0.92 PPARA (0.38) PKMPPARAADORA2AMAPK14SMN1; SMN2
SCHEMBL3841929 0.92 PPARA (0.36) PKMPPARAADORA2AMAPK14SMN1; SMN2
SCHEMBL3839967 0.92 PDE5A (0.37) PKMPPARAADORA2AMAPK14SMN1; SMN2
SCHEMBL3842114 0.88 PPARA (0.34) PPARAADORA2AMAPK14ALDH1A1TBXAS1
SCHEMBL3847182 0.88 MAPK14 (0.35) PKMPPARAADORA2AMAPK14SMN1; SMN2
SCHEMBL4921612 0.87 MAPK14 (0.36) ADORA2AMAPK14HPGDALDH1A1LMNA
SCHEMBL4922143 0.87 PPARA (0.37) PKMPPARAADORA2AMAPK14
SCHEMBL3843724 0.85 PPARA (0.40) PKMPPARAADORA2AMAPK14ALDH1A1

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 PKM 1044/4885PPARA 1/4885ADORA2A 421/4885

“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.