SCHEMBL3551798

SCHEMBL3551798

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.49
GPBAR1 Q8TDU6 6/20 0.44
TACR1 P25103 2/20 0.41
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL3559191 0.88 GPBAR1 (0.54) CETPGPBAR1TACR1
SCHEMBL3557843 0.85 CETP (0.50) CETPGPBAR1TACR1
SCHEMBL1893336 0.85 CETP (0.67) CETPTBXA2RPTGDRPTGDR2
SCHEMBL5669323 0.79 CETP (0.50) CETPGPBAR1TACR1
SCHEMBL4847533 0.77 CETP (0.46) CETPGPBAR1TACR1TBXA2RPTGDR
SCHEMBL4186842 0.76 GAA (0.49) CETPGPBAR1PTGDR2
SCHEMBL3553272 0.76 CETP (0.56) CETPGPBAR1TACR1TBXA2RPTGDR
SCHEMBL3556844 0.75 CETP (0.48) CETPGPBAR1TACR1
SCHEMBL20768063 0.75 CETP (0.42) CETPGPBAR1TACR1
SCHEMBL3556005 0.75 CETP (0.85) 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 10 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
EP-1951053-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-06 EP disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
WO-2007047591-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-04-26 WO 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 1/4885GPBAR1 286/4885TACR1 3645/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 CETP 1/4885GPBAR1 286/4885TACR1 3645/4885

“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.