SCHEMBL13092151

SCHEMBL13092151

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.40
CETP P11597 8/20 0.36
KCNH2 Q12809 3/20 0.36
TRPV1 Q8NER1 2/20 0.35
EPHX2 P34913 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TRPA1 O75762 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
GLS O94925 1/20 0.33

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 0.83 EPAS1 (0.40) EPAS1CETPKCNH2TRPV1CTSS
SCHEMBL14297752 0.81 CETP (0.38) CETPKCNH2TRPV1
SCHEMBL13142717 0.77 CETP (0.51) CETPKCNH2
SCHEMBL761478 0.76 CETP (0.51) CETPKCNH2
SCHEMBL761479 0.76 CETP (0.51) CETPKCNH2
SCHEMBL14533779 0.76 HSD17B14 (0.48) CETPTRPV1
SCHEMBL759599 0.76 CACNA1H (0.38) EPAS1CETPKCNH2TRPV1CTSS
SCHEMBL762158 0.75 CYP1A2 (0.42) CETPKCNH2
SCHEMBL759374 0.74 TRPV1 (0.36) CETPKCNH2TRPV1
SCHEMBL759342 0.74 CETP (0.55) CETPKCNH2

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 9 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
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
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US 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 EPAS1 1893/4885CETP 1/4885KCNH2 2789/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 EPAS1 1893/4885CETP 1/4885KCNH2 2789/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 EPAS1 1893/4885CETP 1/4885KCNH2 2789/4885

“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.