SCHEMBL2833797

SCHEMBL2833797

COc1cc(OC)cc(C(CC(=O)OC(=O)C(F)(F)F)Cc2nnc(CCCc3ccc4c(n3)NCCC4)o2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.59
ITGB3 P05106 19/20 0.59
ITGA2B P08514 14/20 0.59
ITGB6 P18564 14/20 0.59
ITGB5 P18084 6/20 0.47
ITGB8 P26012 4/20 0.47
ITGB1 P05556 2/20 0.45

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
SCHEMBL2834411 0.91 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB5
Trifluoroacetic Acid SCHEMBL2833796 0.90 ITGAV (0.67) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2833711 0.90 ITGB3 (0.62) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2838896 0.89 ITGAV (0.62) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2837254 0.88 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL8335760 0.88 ITGB3 (0.73) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2838659 0.87 ITGAV (0.63) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2833504 0.86 ITGB3 (0.62) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL5857007 0.84 ITGB3 (0.66) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL2836356 0.83 ITGAV (0.62) ITGAVITGB3ITGA2BITGB6ITGB5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US claimed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 ITGAV 2/4885ITGB3 6/4885ITGA2B 8/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ITGAV 16/4885ITGB3 1/4885ITGA2B 4/4885

“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.