SCHEMBL3824943

SCHEMBL3824943

CCOC(=O)C(C)(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.66
PPARA Q07869 2/20 0.64
ABCB11 O95342 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
HTR2A P28223 1/20 0.64
PMP22 Q01453 1/20 0.64
PPARG P37231 1/20 0.59
MAPT P10636 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
PPARD Q03181 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14526474 0.87 PPARD (0.60) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL14254631 0.86 OPRK1 (0.59) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL6982125 0.84 MAPT (0.49) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL654010 0.83 FBP1 (0.65) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1972122 0.83 BCL9 (0.51) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3999379 0.83 ALDH1A1 (0.54) FBP1CYP1A2CYP3A4MAPTBCL9
SCHEMBL11548436 0.81 PPARA (0.76) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3903999 0.81 PPARA (0.76) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL199420 0.80 PPARA (0.73) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL14999157 0.80 GAA (0.54) CYP1A2CYP3A4MAPTBCL9CTNNB1

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 13 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-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 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
US-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2003-01-16 US disclosed
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 WO disclosed
EP-0394440-B1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1994-05-11 EP disclosed
US-4999378-A Antilipemic, anticholesterol, antidiabetic, treatment of atherosclerosis and obesity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-03-12 US disclosed
EP-0394440-A1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 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 (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-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them GPR119, FFAR1, FFAR3 FBP1 411/4885PPARA 60/4885ABCB11 413/4885
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 FBP1 3012/4885PPARA 1/4885ABCB11 2056/4885

“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.