SCHEMBL760187

SCHEMBL760187

Cc1cc(CC(N[S+]([O-])C(C)(C)C)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)on1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.40
EPHX2 P34913 1/20 0.35
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
FLT1 P17948 1/20 0.31

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
SCHEMBL761764 1.00 CETP (0.40) CETPEPHX2GABRG2GABRB3GABRA5
SCHEMBL14297701 0.96 CETP (0.38) CETPEPHX2GABRG2GABRB3GABRA5
SCHEMBL760006 0.78 CETP (0.52) CETPKIF11MEN1KMT2A
SCHEMBL760005 0.78 CETP (0.52) CETPKIF11MEN1KMT2A
SCHEMBL760082 0.77 CETP (0.44) CETPEPHX2GABRG2GABRB3GABRA5
SCHEMBL14297697 0.76 CETP (0.36) CETPKIF11
SCHEMBL759439 0.76 CETP (0.53) CETPMEN1KMT2AFLT1
SCHEMBL14297707 0.76 CETP (0.48) CETPKIF11MEN1KMT2A
SCHEMBL758092 0.76 KIF11 (0.36) CETPKIF11
SCHEMBL12329267 0.76 CHRM2 (0.40) CETPKIF11

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 CETP 1/4885EPHX2 1575/4885GABRG2 4639/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885EPHX2 1575/4885GABRG2 4639/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885EPHX2 1575/4885GABRG2 4639/4885

“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.