SCHEMBL3559191

SCHEMBL3559191

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.54
CETP P11597 11/20 0.50
TACR1 P25103 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3551798 0.88 CETP (0.49) GPBAR1CETPTACR1
SCHEMBL1893336 0.86 CETP (0.67) CETP
SCHEMBL3557612 0.86 GPBAR1 (0.55) GPBAR1CETPTACR1HDAC6
SCHEMBL1601254 0.76 GPBAR1 (0.44) GPBAR1CETPTACR1
SCHEMBL1923803 0.74 GPBAR1 (0.51) GPBAR1CETPHDAC6
SCHEMBL3557843 0.74 CETP (0.50) GPBAR1CETPTACR1
SCHEMBL9885322 0.73 CETP (0.70) CETP
SCHEMBL1601255 0.73 CETP (0.45) GPBAR1CETP
SCHEMBL3551544 0.73 CETP (0.84) CETP
SCHEMBL1259906 0.73 CYP3A4 (0.55)

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 GPBAR1 286/4885CETP 1/4885TACR1 3645/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 GPBAR1 286/4885CETP 1/4885TACR1 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.