SCHEMBL758612

SCHEMBL758612

COC(=O)c1cccc(C#CCOc2ccc(CC(NC(=O)c3ccc(F)c(C(F)(F)F)c3)(c3cccc(OC(F)(F)F)c3)c3cccc(OC(F)(F)F)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.46
MRGPRX4 Q96LA9 2/20 0.41
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
FFAR1 O14842 1/20 0.35
KAT6A Q92794 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
VNN1 O95497 1/20 0.33
ALOX5 P09917 1/20 0.33
EPHX2 P34913 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
SCHEMBL759703 0.94 CETP (0.48) CETPMRGPRX4PTPN7DUSP3EGLN1
SCHEMBL13104088 0.87 MRGPRX4 (0.57) CETPMRGPRX4
SCHEMBL760065 0.87 CETP (0.54) CETPMRGPRX4PPARDPPARA
SCHEMBL13103780 0.86 CETP (0.51) CETPMRGPRX4
SCHEMBL13093939 0.85 CETP (0.53) CETPMRGPRX4
SCHEMBL761364 0.84 CETP (0.54) CETPPPARDPPARAEPHX2
SCHEMBL761790 0.84 CETP (0.52) CETPMRGPRX4PTPN7DUSP3VNN1
SCHEMBL762178 0.83 CETP (0.50) CETPMRGPRX4PTPN7DUSP3FFAR1
SCHEMBL758213 0.83 CETP (0.49) CETPMRGPRX4PTPN7DUSP3FFAR1
SCHEMBL761546 0.82 CETP (0.56) CETPVNN1EPHX2

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 14 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-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 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-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-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
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885MRGPRX4 621/4885PTPN7 4629/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885MRGPRX4 621/4885PTPN7 4629/4885

“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.