SCHEMBL531540

SCHEMBL531540

CCOC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TTR P02766 1/20 0.54
DPP4 P27487 1/20 0.54
MAPT P10636 1/20 0.51
MAOB P27338 2/20 0.49
HTT P42858 1/20 0.48
PTGS2 P35354 1/20 0.47
FDPS P14324 1/20 0.47
ESR1 P03372 1/20 0.46
ALOX5 P09917 2/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MLYCD O95822 1/20 0.43

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
SCHEMBL531541 1.00 CYP3A4 (0.55) CYP3A4CA12CA1CA2CA7
SCHEMBL5665783 0.86 CYP3A4 (0.56) CYP3A4CA12CA1CA2CA7
SCHEMBL5665782 0.86 CYP3A4 (0.56) CYP3A4CA12CA1CA2CA7
SCHEMBL6222428 0.85 APP (0.58) MAPTHTTESR1ALOX5CYP1A1
SCHEMBL6222426 0.85 APP (0.58) MAPTHTTESR1ALOX5CYP1A1
SCHEMBL1269174 0.85 MAPT (0.67) TTRDPP4MAPTMAOBHTT
SCHEMBL1269172 0.85 MAPT (0.67) TTRDPP4MAPTMAOBHTT
SCHEMBL1689725 0.84 CA12 (0.67) CYP3A4CA12CA1CA2CA7
SCHEMBL1689727 0.84 CA12 (0.67) CYP3A4CA12CA1CA2CA7
SCHEMBL3116132 0.84 CA12 (0.55) CYP3A4CA12CA1CA2CA7

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 CYP3A4 446/4885CA12 4749/4885CA1 4795/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CYP3A4 446/4885CA12 4749/4885CA1 4795/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CYP3A4 446/4885CA12 4749/4885CA1 4795/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CYP3A4 446/4885CA12 4749/4885CA1 4795/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CYP3A4 446/4885CA12 4749/4885CA1 4795/4885

“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.