SCHEMBL532579

SCHEMBL532579

C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1I

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.61
NR1I2 O75469 3/20 0.61
PTGDR2 Q9Y5Y4 4/20 0.56
KCNH2 Q12809 2/20 0.54

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
SCHEMBL531911 1.00 CETP (0.61) CETPNR1I2PTGDR2KCNH2
SCHEMBL14874761 1.00 CETP (0.61) CETPNR1I2PTGDR2KCNH2
SCHEMBL3577311 1.00 CETP (0.61) CETPNR1I2PTGDR2KCNH2
SCHEMBL531912 1.00 CETP (0.61) CETPNR1I2PTGDR2KCNH2
SCHEMBL12696971 0.94 CETP (0.55) CETPNR1I2PTGDR2KCNH2
SCHEMBL1529173 0.93 CETP (0.54) CETPNR1I2PTGDR2KCNH2
SCHEMBL4307662 0.90 CETP (0.55) CETPNR1I2PTGDR2KCNH2
SCHEMBL1529174 0.89 CETP (0.50) CETPNR1I2PTGDR2
SCHEMBL531641 0.88 CETP (0.51) CETPNR1I2
SCHEMBL531640 0.88 CETP (0.51) CETPNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
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-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
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-8440702-B2 1,3-oxazolidin -2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2029560-B1 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-04-24 EP disclosed
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-05-28 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
EP-2029560-A2 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS Merck & Co., Inc. (US) 2009-03-04 EP disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
WO-2007079186-A2 1, 3-OXAZOLIDIN-2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-12 WO disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 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 (6 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 CETP 1/4885NR1I2 67/4885PTGDR2 4439/4885
US-20090075979-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 56/4885PTGDR2 3933/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885PTGDR2 4439/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885PTGDR2 4439/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885PTGDR2 4439/4885
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors CETP, MTTP, APOB CETP 1/4885NR1I2 111/4885PTGDR2 4325/4885

“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.