SCHEMBL532407

SCHEMBL532407

CC(C)c1ccc(OC(F)(F)F)c(B(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.43
ALDH1A1 P00352 3/20 0.39
PDK2 Q15119 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
CACNA1H O95180 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
TYR P14679 1/20 0.34
APP P05067 1/20 0.34
GAA P10253 2/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
EPHX2 P34913 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL13523271 0.80 PDE2A (0.45) PDE2AALDH1A1PDK2KCNK3KCNK9
SCHEMBL27439645 0.79 TRPA1 (0.48) PDE2AALDH1A1PDK2KCNK3KCNK9
SCHEMBL130864 0.79 ENPP2 (0.48) ALDH1A1TRPA1PTGS1CACNA1C
SCHEMBL30581674 0.79 ENPP2 (0.48) ALDH1A1TRPA1PTGS1CACNA1C
SCHEMBL263459 0.77 PDE2A (0.40) PDE2AKCNK3KCNK9EPHX2
SCHEMBL14237419 0.77 GPR3 (0.39) PDE2AALDH1A1KCNK3KCNK9EPHX2
SCHEMBL15269928 0.77 PDE2A (0.36) PDE2AALDH1A1TYRAPPGAA
SCHEMBL2662343 0.77 PDE2A (0.62) PDE2ACACNA1HEPHX2
SCHEMBL13523269 0.77 PDE2A (0.43) PDE2AALDH1A1PDK2KCNK3KCNK9
SCHEMBL12775740 0.77 TRPA1 (0.37) ALDH1A1TRPA1PTGS1CACNA1CTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US 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
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
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US 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-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 PDE2A 2617/4885ALDH1A1 3887/4885PDK2 3687/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP PDE2A 2617/4885ALDH1A1 3887/4885PDK2 3687/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP PDE2A 2617/4885ALDH1A1 3887/4885PDK2 3687/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP PDE2A 2617/4885ALDH1A1 3887/4885PDK2 3687/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP PDE2A 2617/4885ALDH1A1 3887/4885PDK2 3687/4885

“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.