SCHEMBL3556473

SCHEMBL3556473

COc1ccc(C(C)C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.73
TBXA2R P21731 1/20 0.57
PTGDR Q13258 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.57

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
SCHEMBL3556004 0.93 CETP (0.75) CETPTBXA2RPTGDRPTGDR2
SCHEMBL20768066 0.93 CETP (0.84) CETPTBXA2RPTGDRPTGDR2
SCHEMBL9885307 0.92 CETP (0.86) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3560925 0.92 CETP (0.74) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3564641 0.91 CETP (0.70) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3552445 0.87 CETP (0.80) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3556005 0.86 CETP (0.85) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3557875 0.85 CETP (0.83) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3731801 0.85 CETP (0.72) CETPTBXA2RPTGDRPTGDR2
SCHEMBL3551544 0.85 CETP (0.84) CETP

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 5 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-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-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 (2 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

“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.