SCHEMBL1893336

SCHEMBL1893336

COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1I

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.67
TBXA2R P21731 1/20 0.51
PTGDR Q13258 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51

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
SCHEMBL9885322 0.88 CETP (0.70) CETPTBXA2RPTGDRPTGDR2
SCHEMBL9885316 0.87 CETP (0.68) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3559191 0.86 GPBAR1 (0.54) CETP
SCHEMBL3551798 0.85 CETP (0.49) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3553339 0.85 CETP (0.66) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3554373 0.84 CETP (0.64) CETPTBXA2RPTGDRPTGDR2
SCHEMBL12664976 0.82 CETP (0.65) CETPTBXA2RPTGDRPTGDR2
SCHEMBL1897565 0.82 CETP (0.63) CETPTBXA2RPTGDRPTGDR2
SCHEMBL13312983 0.81 CETP (0.62) CETPTBXA2RPTGDRPTGDR2
SCHEMBL1896128 0.79 CETP (0.59) CETPTBXA2RPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-7935727-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20090124689-A1 CETP Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 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 (3 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CETP 1/4885TBXA2R 579/4885PTGDR 4663/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 CETP 1/4885TBXA2R 579/4885PTGDR 4663/4885
US-20090124689-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885TBXA2R 1082/4885PTGDR 4730/4885

“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.