SCHEMBL6419440

SCHEMBL6419440

CC(C)(C)OC(=O)N(CCCOc1ccc2c(c1)CNC(=O)C(CC(=O)O)C2)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGAV P06756 9/20 0.46
ITGA2B P08514 7/20 0.46
ITGB5 P18084 2/20 0.44
ITGB1 P05556 1/20 0.44
F2 P00734 2/20 0.38
PPARD Q03181 8/20 0.38
PPARA Q07869 3/20 0.37

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
SCHEMBL6419667 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6421398 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6417946 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6420692 0.84 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418662 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419322 0.80 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419461 0.80 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419527 0.77 ITGB3 (0.35) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6422543 0.77 CA12 (0.48) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419266 0.76 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB5ITGB1

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
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US claimed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US claimed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP claimed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP claimed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO claimed
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

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 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885

“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.