SCHEMBL3843301

SCHEMBL3843301

CCc1nc2ccccc2c(=O)n1CCCNc1ccc(SC(C)(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
PPARG P37231 1/20 0.43
TSHR P16473 2/20 0.42
PTK2B Q14289 1/20 0.42
APP P05067 1/20 0.41
HDAC2 Q92769 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3848251 0.97 HDAC6 (0.43) HDAC6HDAC1HDAC11HDAC8PPARG
SCHEMBL4918118 0.94 TP53 (0.43) HDAC6HDAC1HDAC11HDAC8PPARG
SCHEMBL3845726 0.93 RXFP1 (0.44) HDAC6HDAC1HDAC11HDAC8TSHR
SCHEMBL3827162 0.90 HDAC1 (0.41) HDAC6HDAC1HDAC11HDAC8PPARG
SCHEMBL3824727 0.90 RXFP1 (0.43) HDAC6TSHRPTK2BTP53ALDH1A1
SCHEMBL4913279 0.89 TSHR (0.54) HDAC6HDAC1HDAC11HDAC8PPARG
SCHEMBL3826973 0.88 HDAC1 (0.40) HDAC6HDAC1HDAC11HDAC8PPARG
SCHEMBL3827207 0.87 RXFP1 (0.45) HDAC6TSHRPTK2BMEN1KMT2A
SCHEMBL3824690 0.86 TSHR (0.53) HDAC6HDAC1HDAC11HDAC8PPARG
SCHEMBL3824278 0.85 TP53 (0.43) HDAC6HDAC1HDAC11HDAC8PPARG

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 6 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
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 HDAC6 2572/4885HDAC1 1524/4885HDAC11 1306/4885

“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.