SCHEMBL2834316

SCHEMBL2834316

O=C(O)CC(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1ccc(NC2=NCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
ITGB3 P05106 6/20 0.45
ITGAV P06756 6/20 0.45
ITGA2B P08514 6/20 0.45
ITGB1 P05556 2/20 0.41
ITGB5 P18084 2/20 0.41
PTGIR P43119 5/20 0.40
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
AOC3 Q16853 1/20 0.36
F2 P00734 1/20 0.36
C1R P00736 1/20 0.36
F10 P00742 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL2835220 0.95 ITGB3 (0.46) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2837779 0.93 ITGB3 (0.42) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2839861 0.91 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2838663 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL4231399 0.87 ITGB3 (0.50) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2841899 0.87 ITGB3 (0.50) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2838397 0.85 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2836605 0.84 ITGB3 (0.51) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2837308 0.84 ITGB3 (0.53) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL20575275 0.82 CA1 (0.34) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists PHARMACIA ITALIA S.P.A. (IT) 2003-07-31 US claimed
EP-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP claimed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 WO claimed
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
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-6974828-B2 Propanoic acid derivatives as intergrin receptor antagonists PHARMACIA ITALIA S.P.A. (IT) 2005-12-13 US disclosed
EP-1282602-B1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA SPA (IT) 2005-09-21 EP disclosed
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists PHARMACIA ITALIA S.P.A. (IT) 2003-07-31 US disclosed
EP-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP disclosed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 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 (3 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-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ADRA2A 2593/4885ADRA2B 1577/4885ADRA2C 2689/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ADRA2A 2593/4885ADRA2B 1577/4885ADRA2C 2689/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 ADRA2A 203/4885ADRA2B 65/4885ADRA2C 404/4885

“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.