SCHEMBL6419328

SCHEMBL6419328

COC(=O)CC1Cc2ccc(OCCCN(C(=O)OC(C)(C)C)c3cccc[n+]3[O-])cc2CN(Cc2ccc(N)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.38
ITGAV P06756 6/20 0.38
ITGA2B P08514 5/20 0.38
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HDAC8 Q9BY41 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
SCHEMBL6788739 0.93 ITGB3 (0.40) ITGB3ITGAVITGA2BPDE4APDE4B
SCHEMBL6419041 0.92 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL7407629 0.92 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL6419279 0.89 ITGB3 (0.45) ITGB3ITGAVITGA2BHDAC8
SCHEMBL6421285 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL6421900 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL6419321 0.84 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6419369 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BPDE4APDE4B
SCHEMBL7399346 0.84 ITGB3 (0.36) ITGB3ITGAVITGA2B
SCHEMBL6418120 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2B

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 4 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

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.