SCHEMBL4058840

SCHEMBL4058840

CS(=O)(=O)Nc1ccc(-c2nc(C(=O)O)c(C(F)(F)F)nc2OCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
CYP17A1 P05093 4/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.39
SGK1 O00141 4/20 0.39
PTPN1 P18031 1/20 0.39
ATR Q13535 1/20 0.39
PTGS2 P35354 3/20 0.39
ALOX5 P09917 1/20 0.36

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
SCHEMBL4064887 0.87 CNR1 (0.44) KIF11PPARDPTPN1ATRPTGS2
SCHEMBL4064494 0.86 MEN1 (0.45) KIF11PPARDPTPN1ATRPTGS2
SCHEMBL4065526 0.84 PGR (0.47) KIF11ATRPTGS2
SCHEMBL212800 0.81 CNR1 (0.51) PPARA
SCHEMBL212187 0.81 CNR1 (0.37) KIF11CYP17A1PPARDPPARASGK1
SCHEMBL4064121 0.81 DHODH (0.39) SGK1ALOX5
SCHEMBL1017935 0.76 KMO (0.47)
SCHEMBL14856737 0.75 CNR1 (0.46) KIF11CYP17A1PPARDPPARASGK1
SCHEMBL14856883 0.75 GPR119 (0.35) KIF11CYP17A1PPARDPPARASGK1
SCHEMBL1018486 0.73 PIN1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-08-01 US claimed
EP-2598158-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX Institut de Cardiologie de Montréal (CA) 2013-06-05 EP claimed
EP-2271632-B1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2013-04-17 EP claimed
WO-2012012870-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-02-02 WO claimed
WO-2009121741-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO claimed
US-20090247550-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 US claimed
US-20150374675-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2015-12-31 US disclosed
US-20140309426-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTRÉAL (CA) 2014-10-16 US disclosed
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-08-01 US disclosed
EP-2598158-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX Institut de Cardiologie de Montréal (CA) 2013-06-05 EP disclosed
EP-2271632-B1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2013-04-17 EP disclosed
WO-2012012870-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-02-02 WO disclosed
WO-2009121741-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090247550-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 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 (4 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-20140309426-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP KIF11 3326/4885CYP17A1 2353/4885PPARD 294/4885
US-20090247550-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, PON1 KIF11 3513/4885CYP17A1 828/4885PPARD 77/4885
US-20150374675-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP KIF11 3326/4885CYP17A1 2353/4885PPARD 294/4885
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP KIF11 3250/4885CYP17A1 2251/4885PPARD 337/4885

“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.