SCHEMBL3824835

SCHEMBL3824835

CCC(=O)OCCn1c(CC)nc2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
HDAC6 Q9UBN7 2/20 0.47
TSHR P16473 2/20 0.46
PTK2B Q14289 1/20 0.46
ALDH1A1 P00352 4/20 0.46
ATM Q13315 1/20 0.46
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ACKR3 P25106 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.45
GBA1 P04062 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL14184524 0.93 KDM4E (0.56) KDM4EGAAL3MBTL1CYP1A2CYP2C9
SCHEMBL3824411 0.92 KDM4E (0.55) KDM4EGAAL3MBTL1CYP1A2CYP2C9
SCHEMBL3828835 0.83 RXFP1 (0.56) KDM4EGAAL3MBTL1CYP1A2CYP2C9
SCHEMBL874882 0.80 TSHR (0.58) KDM4EGAAL3MBTL1CYP1A2CYP2C9
SCHEMBL6555851 0.80 MAPT (0.47) KDM4EL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL3821434 0.80 TSHR (0.59) KDM4EL3MBTL1SMN1; SMN2HDAC6TSHR
SCHEMBL5935574 0.79 KCNH2 (0.53) KDM4EGAAL3MBTL1SMN1; SMN2TSHR
SCHEMBL3823898 0.78 TSHR (0.71) GAACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5935666 0.78 MAPT (0.48) KDM4EGAAL3MBTL1CYP1A2CYP2C9
SCHEMBL6557890 0.78 ALDH1A1 (0.44) KDM4EL3MBTL1SMN1; SMN2ALDH1A1ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793828-A4 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY REDDYS LAB LTD DR (IN) 2009-09-02 EP 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
EP-1793828-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006029075-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-03-16 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 (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 KDM4E 2385/4885GAA 3452/4885L3MBTL1 1469/4885

“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.