SCHEMBL2836043

SCHEMBL2836043

CC(CC(=O)O)(Cc1nc(CCCCNc2ccccn2)no1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.56
ITGAV P06756 15/20 0.56
ITGA2B P08514 8/20 0.56
ITGB6 P18564 4/20 0.38
ITGB1 P05556 4/20 0.38
ITGB5 P18084 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
ITGA5 P08648 1/20 0.34

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
SCHEMBL2839453 0.93 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2838647 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2836558 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL5856850 0.83 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2842133 0.82 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2838017 0.82 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2834629 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2839643 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL4053910 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL2833950 0.77 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB6ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US claimed
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 2/4885ITGA2B 8/4885
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGA2B 4/4885
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV ITGB3 5/4885ITGAV 3/4885ITGA2B 2/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGA2B 4/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGA2B 4/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B ITGB3 5/4885ITGAV 13/4885ITGA2B 3/4885

“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.