SCHEMBL761737

SCHEMBL761737

CCC(N)C(F)(F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
DPP8 Q6V1X1 3/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP4 P27487 1/20 0.33
KIF11 P52732 2/20 0.31
LAP3 P28838 1/20 0.31
GRB2 P62993 1/20 0.31
GRIK1 P39086 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30

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
SCHEMBL11074458 0.78 GRB2 (0.32) GRB2NOS3NOS1NOS2
SCHEMBL10163720 0.76 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1DPP8DPP7
SCHEMBL3391927 0.75 SLC1A2 (0.38) SLC1A3SLC1A2SLC1A1KIF11LAP3
SCHEMBL27585631 0.73 SLC1A2 (0.37) SLC1A3SLC1A2SLC1A1KIF11LAP3
SCHEMBL1706440 0.73 MAPT (0.31) MAPT
Trifluoroacetic Acid SCHEMBL27860844 0.73 DPP8 (0.41) SLC1A3SLC1A2SLC1A1DPP8DPP7
SCHEMBL7347545 0.73 TSHR (0.42)
SCHEMBL20049072 0.73 DPP8 (0.31) DPP8DPP7DPP4KIF11
SCHEMBL8584362 0.73 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1KIF11LAP3
Trifluoroacetic Acid SCHEMBL3555663 0.73 DPP8 (0.44) SLC1A3SLC1A2SLC1A1DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132922-A One class water solublity propofol derivative and application thereof 江苏恩华络康药物研发有限公司 2016-11-16 CN claimed
CN-106132922-A One class water solublity propofol derivative and application thereof 江苏恩华络康药物研发有限公司 2016-11-16 CN disclosed
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
CN-101312939-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN 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 SLC1A3 4744/4885SLC1A2 4847/4885SLC1A1 4743/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC1A3 4744/4885SLC1A2 4847/4885SLC1A1 4743/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SLC1A3 4744/4885SLC1A2 4847/4885SLC1A1 4743/4885

“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.