SCHEMBL6418683

SCHEMBL6418683

COc1ccc(Br)c(CN(CC(F)(F)F)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CETP P11597 2/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
EPHX2 P34913 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
HDAC1 Q13547 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6418121 0.84 POLB (0.49) ALDH1A1LPAR1HSD17B10HPGD
SCHEMBL7450078 0.83 MTNR1A (0.46) ALDH1A1CETPMTNR1ALPAR1LPAR5
SCHEMBL6420626 0.83 POLB (0.38) ALDH1A1CETPMTNR1AMTNR1BEPHX2
SCHEMBL6418675 0.83 CETP (0.49) CETPHDAC1MEN1KMT2A
SCHEMBL4638881 0.83 ESR1 (0.37) ALDH1A1CETPMTNR1AMTNR1BLMNA
SCHEMBL7370769 0.82 PTGER4 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL7370771 0.82 PTGER4 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL4719084 0.82 SSTR4 (0.46) SSTR4ALDH1A1MTNR1AMTNR1BHSD17B10
SCHEMBL6419451 0.82 ALDH1A1 (0.43) SSTR4ALDH1A1MTNR1AMTNR1BHSD17B10
SCHEMBL6418150 0.82 LY96 (0.38) ALDH1A1CETPMEN1KMT2A

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 9 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
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 CN 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
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN 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 SSTR4 998/4885ALDH1A1 3956/4885CETP 3466/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 SSTR4 998/4885ALDH1A1 3956/4885CETP 3466/4885

“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.