SCHEMBL6418863

SCHEMBL6418863

COC(=O)C[C@H](Cc1ccc(OC)cc1CN(CC(F)(F)F)C(=O)OC(C)(C)C)C(=O)NN1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.35
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
SCN9A Q15858 1/20 0.30
BMP1 P13497 1/20 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
SCHEMBL6421272 0.91 CETP (0.37) CETPEPHX2MEN1KMT2ABMP1
SCHEMBL6419545 0.86 CETP (0.36) CETPMEN1POLBKMT2A
SCHEMBL6420274 0.77 CETP (0.39) CETPEPHX2MEN1KMT2ABMP1
SCHEMBL6418597 0.72 EPHX2 (0.35) CETPEPHX2
SCHEMBL4638138 0.72 CYP1A2 (0.39) CETPEPHX2KMT2A
SCHEMBL4638135 0.72 CYP1A2 (0.39) CETPEPHX2KMT2A
SCHEMBL6654834 0.71 PPARA (0.37) CETP
SCHEMBL6654838 0.71 PPARA (0.37) CETP
SCHEMBL6419963 0.70 KDM4E (0.35) CETPMEN1POLBKMT2A
SCHEMBL6418124 0.70 NAAA (0.40) MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885EPHX2 2147/4885MEN1 1246/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885EPHX2 2147/4885MEN1 1246/4885

“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.