SCHEMBL531423

SCHEMBL531423

FC(F)(F)c1ccc(I)c(CCBr)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
GSK3B P49841 1/20 0.38
IDO1 P14902 2/20 0.38
PTPN5 P54829 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
CYBB P04839 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
DAO P14920 3/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL532671 0.85 IDO1 (0.40) PTPN1GSK3BIDO1PTPN5TAAR1
SCHEMBL27705804 0.79 PTPN1 (0.39) PTPN1GSK3BIDO1PTPN5SIRT2
SCHEMBL27546311 0.79 IDO1 (0.54) PTPN1GSK3BIDO1PTPN5SIRT2
SCHEMBL25090301 0.78 SLC6A4 (0.41) PTPN1GSK3BIDO1PTPN5DAO
SCHEMBL12650016 0.77 ESR1 (0.40) IDO1PTPN5CYP3A4CYP2D6DAO
SCHEMBL531384 0.77 KLF10 (0.40) IDO1PTPN5SIRT2CYP3A4CYP2D6
SCHEMBL28035154 0.77 IDO1 (0.40) IDO1PTPN5CYBBNOX3NOX4
SCHEMBL27975927 0.76 DAO (0.51) PTPN1GSK3BIDO1PTPN5SIRT2
SCHEMBL5440588 0.76 IDO1 (0.54) PTPN1GSK3BIDO1PTPN5SIRT2
SCHEMBL5426897 0.74 DAO (0.52) PTPN1GSK3BIDO1PTPN5SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
CN-102311401-A CETP INHIBITORS MERCK & CO INC 2012-01-11 CN disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
CN-101365689-A 1,3-oxazolidin-2-one derivatives useful as cetp inhibitors MERCK & CO INC (US) 2009-02-11 CN disclosed
CN-101228131-A Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD (JP) 2008-07-23 CN disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
CN-1980904-A CETP inhibitors MERCK & CO INC (US) 2007-06-13 CN disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP PTPN1 3029/4885GSK3B 3127/4885IDO1 4683/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP PTPN1 3029/4885GSK3B 3127/4885IDO1 4683/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP PTPN1 3029/4885GSK3B 3127/4885IDO1 4683/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP PTPN1 3029/4885GSK3B 3127/4885IDO1 4683/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP PTPN1 3029/4885GSK3B 3127/4885IDO1 4683/4885

“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.