SCHEMBL6419562

SCHEMBL6419562

COC(=O)CC1Cc2ccc(OCCCNc3cc(C)cc[n+]3[O-])cc2CN(CC(F)(F)F)C1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.57
ITGAV P06756 8/20 0.57
ITGA2B P08514 5/20 0.57
ITGB1 P05556 1/20 0.33
ITGB5 P18084 1/20 0.33
CALCRL Q16602 6/20 0.31
CYP3A4 P08684 1/20 0.31
HDAC8 Q9BY41 2/20 0.30
ABHD6 Q9BV23 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
SCHEMBL6418541 0.93 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418536 0.93 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL14182028 0.91 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2050050 0.91 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419383 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6788313 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2784510 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418707 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2785184 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7058672 0.83 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5

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 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.