SCHEMBL2478463

SCHEMBL2478463

Cc1c(C(F)(F)F)ccc2c1NC(=O)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.60
DAO P14920 2/20 0.47
NSD2 O96028 1/20 0.43
BCHE P06276 1/20 0.43
LIG1 P18858 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
NOTUM Q6P988 1/20 0.36
TGM2 P21980 1/20 0.36
DNMT1 P26358 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL31727854 0.79 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL3085898 0.77 CES1 (0.62) CES1DAONSD2BCHELIG1
SCHEMBL29689346 0.77 CES1 (0.62) CES1DAONSD2BCHELIG1
Toluene SCHEMBL28094090 0.76 CES1 (0.79) CES1DAONSD2BCHELIG1
Ethane SCHEMBL28094093 0.76 CES1 (0.93) CES1DAONSD2BCHELIG1
SCHEMBL2892415 0.76 CES1 (0.67) CES1DAONSD2BCHELIG1
SCHEMBL594546 0.75 CES1 (1.00) CES1DAONSD2BCHELIG1
Methane SCHEMBL28257010 0.74 CES1 (0.96) CES1DAONSD2BCHELIG1
SCHEMBL1091746 0.74 CES1 (0.59) CES1DAONSD2BCHELIG1
SCHEMBL1092103 0.73 CES1 (0.62) CES1DAONSD2BCHELIG1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia CHEN XINCHAO 2010-08-12 US disclosed
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia CHEN XINCHAO 2010-08-12 US disclosed
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 US disclosed
EP-1761522-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2006002342-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-01-05 WO disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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 (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-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis CETP, APOB, MTTP CES1 20/4885DAO 2557/4885NSD2 4008/4885
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C CES1 3688/4885DAO 1360/4885NSD2 2543/4885
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 CES1 26/4885DAO 3694/4885NSD2 2836/4885
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia APOB, LIPC, PCSK9 CES1 26/4885DAO 3699/4885NSD2 1885/4885

“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.