SCHEMBL4307602

SCHEMBL4307602

CC(C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
RAPGEF3 O95398 3/20 0.45
RAPGEF4 Q8WZA2 3/20 0.45
NPSR1 Q6W5P4 1/20 0.40
RPS6KA3 P51812 1/20 0.40
JAK3 P52333 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
TACR1 P25103 2/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP2C9 P11712 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1858924 0.83 GSK3B (0.56) CES2RAPGEF3RAPGEF4SLC6A4CYP3A4
SCHEMBL30252221 0.82 CES2 (0.53) CES2RAPGEF3RAPGEF4RPS6KA3JAK3
SCHEMBL12190808 0.80 CES2 (0.59) CES2NPSR1HDAC8TACR1NOTUM
SCHEMBL29115377 0.78 CES2 (0.44) CES2RAPGEF3RAPGEF4RPS6KA3JAK3
SCHEMBL627504 0.77 CES2 (0.55) CES2NPSR1HDAC8TACR1NOTUM
SCHEMBL20075508 0.73 MLYCD (0.41)
SCHEMBL22344680 0.71 CES2 (0.48) CES2NPSR1HDAC8TACR1NOTUM
SCHEMBL4534271 0.71 CES2 (0.48) CES2NPSR1HDAC8TACR1NOTUM
SCHEMBL29115457 0.71 CES2 (0.57) CES2HDAC8TACR1NOTUMGAA
SCHEMBL9927081 0.70 SLC6A3 (0.47) CES2NPSR1HDAC8NOTUMGAA

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
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (1 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP CES2 140/4885RAPGEF3 3777/4885RAPGEF4 3676/4885

“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.