SCHEMBL3083262

SCHEMBL3083262

O=C(NC(Cc1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)c1ccc(O)cc1F)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.61
VNN1 O95497 4/20 0.44
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
AURKA O14965 1/20 0.36

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
SCHEMBL761013 0.86 CETP (0.63) CETPVNN1
SCHEMBL761012 0.86 CETP (0.63) CETPVNN1
SCHEMBL3072681 0.85 CETP (0.56) CETPVNN1HDAC8
SCHEMBL757170 0.83 CETP (0.80) CETPVNN1
SCHEMBL12869617 0.82 CETP (0.79) CETPVNN1
SCHEMBL3079498 0.82 CETP (0.59) CETP
SCHEMBL757625 0.80 CETP (0.68) CETPVNN1
SCHEMBL761040 0.80 CETP (0.68) CETPVNN1
SCHEMBL761039 0.80 CETP (0.68) CETPVNN1
SCHEMBL761739 0.80 CETP (0.70) CETPVNN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885VNN1 3589/4885PTPN7 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.