SCHEMBL6418698

SCHEMBL6418698

NCCCOc1ccc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(CC(=O)O)C2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.53
ITGA2B P08514 10/20 0.53
ITGAV P06756 8/20 0.53
PPARD Q03181 5/20 0.49
PPARA Q07869 5/20 0.49
ITGB1 P05556 1/20 0.38
ITGB5 P18084 1/20 0.38

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
SCHEMBL6418693 1.00 ITGB3 (0.53) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6420205 0.89 ITGB3 (0.50) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6420201 0.89 ITGB3 (0.50) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6422971 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6422977 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6419108 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6419095 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6419470 0.84 ITGB3 (0.78) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6419477 0.84 ITGB3 (0.78) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL7049383 0.83 ITGB3 (0.63) ITGB3ITGA2BITGAVPPARDPPARA

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

“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.