SCHEMBL2837839

SCHEMBL2837839

O=C(O)CC(Cn1ccc(CCCc2ccc3c(n2)NCCC3)n1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGAV P06756 20/20 0.65
ITGB5 P18084 7/20 0.65
ITGA2B P08514 4/20 0.65
ITGB6 P18564 2/20 0.65
ITGB8 P26012 1/20 0.52

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
SCHEMBL2834808 0.92 ITGAV (0.63) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL2841865 0.87 ITGAV (0.72) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL5858177 0.85 ITGAV (0.67) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL2838624 0.85 ITGAV (0.67) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL6422503 0.84 ITGAV (0.83) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL6357539 0.84 ITGAV (0.83) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL6421258 0.84 ITGAV (0.83) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL20575603 0.83 ITGAV (0.65) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL2842112 0.83 ITGB3 (0.73) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL2836652 0.83 ITGB3 (0.68) ITGB3ITGAVITGB5ITGA2BITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US claimed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US claimed
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2018-12-06 US disclosed
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
EP-2730282-A1 Methods and compositions for the treatment of proteinuric diseases The General Hospital Corporation (US) 2014-05-14 EP disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US 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
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (6 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 ITGB3 6/4885ITGAV 2/4885ITGB5 4/4885
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGB5 11/4885
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ITGB3 5/4885ITGAV 3/4885ITGB5 4/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGB5 11/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGB5 11/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ITGB3 5/4885ITGAV 13/4885ITGB5 9/4885

“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.