SCHEMBL3556005

SCHEMBL3556005

CCc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O)c1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.85
PTGDR2 Q9Y5Y4 9/20 0.66
TBXA2R P21731 4/20 0.66
PTGDR Q13258 4/20 0.66
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
PTGIR P43119 2/20 0.59

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
SCHEMBL3555984 0.94 CETP (0.75) CETPPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL3557962 0.94 CETP (0.75) CETPPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL17965461 0.92 CETP (0.73) CETPPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL9885315 0.92 CETP (1.00) CETPPTGDR2TBXA2RPTGDR
SCHEMBL3557875 0.91 CETP (0.83) CETPPTGDR2TBXA2RPTGDR
SCHEMBL3553387 0.90 CETP (0.69) CETPPTGDR2TBXA2RPTGDR
SCHEMBL17993991 0.90 CETP (0.69) CETPPTGDR2TBXA2RPTGDR
SCHEMBL3552666 0.89 CETP (0.68) CETPPTGDR2TBXA2RPTGDR
SCHEMBL3560654 0.88 CETP (0.70) CETPPTGDR2TBXA2RPTGDR
SCHEMBL3553778 0.88 CETP (0.67) CETPPTGDR2TBXA2RPTGDR

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 8 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
EP-1737811-A4 CETP INHIBITORS MERCK & CO INC (US) 2009-06-17 EP disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
EP-1737811-A1 CETP INHIBITORS Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100298-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2005-10-27 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 (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 1/4885PTGDR2 4585/4885TBXA2R 579/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 CETP 1/4885PTGDR2 4585/4885TBXA2R 579/4885

“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.