SCHEMBL759599

SCHEMBL759599

CC(C)(C)OC(=O)NCc1cc(C(O)c2cc(OC(F)(F)C(F)F)cc(C(F)(F)F)c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GLS O94925 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CETP P11597 3/20 0.34
EPAS1 Q99814 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTRA1 Q92743 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL759594 0.91 EPAS1 (0.40) GLSTRPV1CTSSCTSKCETP
SCHEMBL13104179 0.77 GLS (0.38) GLSTRPV1CTSSCTSKEPAS1
SCHEMBL13092151 0.76 EPAS1 (0.40) GLSTRPV1CTSSCTSKCETP
SCHEMBL13091273 0.75 GLS (0.44) GLSTRPV1CTSSCTSKEPAS1
SCHEMBL761478 0.74 CETP (0.51) CETPKCNH2
SCHEMBL761479 0.74 CETP (0.51) CETPKCNH2
SCHEMBL13142717 0.74 CETP (0.51) CETPKCNH2
SCHEMBL28743051 0.73 GLS (0.41) GLSTRPV1CTSSCTSKEPAS1
SCHEMBL759600 0.72 CETP (0.40) CETP
SCHEMBL13976038 0.70 EPHX2 (0.46) CACNA1HCACNA1BCACNA1CGLSCTSS

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
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (3 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CACNA1H 3465/4885CACNA1B 3155/4885CACNA1C 3597/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CACNA1H 3465/4885CACNA1B 3155/4885CACNA1C 3597/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CACNA1H 3465/4885CACNA1B 3155/4885CACNA1C 3597/4885

“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.