SCHEMBL2837569

SCHEMBL2837569

O=C(O)CC(c1ccccc1)[S+]([O-])c1ccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.47
NAMPT P43490 5/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
KDR P35968 1/20 0.45
HPSE Q9Y251 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CASR P41180 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2834794 0.94 ITGB3 (0.47) ROCK2NAMPTITGB3ITGAVKDR
SCHEMBL2838905 0.92 TSHR (0.50) NAMPTITGB3ITGAVNPC1
SCHEMBL2837518 0.91 NAMPT (0.54) ROCK2NAMPTCA12CA1CA2
SCHEMBL2838511 0.91 ITGB3 (0.43) ROCK2ITGB3ITGAVMAPK1LMNA
SCHEMBL2833588 0.91 NAMPT (0.52) NAMPTITGB3ITGAVKDRHPSE
SCHEMBL2839463 0.86 ITGB3 (0.45) ROCK2NAMPTITGB3ITGAVKDR
SCHEMBL2836148 0.85 ITGB3 (0.48) ITGB3HPSESIRT1ALDH1A1NPC1
SCHEMBL2841321 0.85 TSHR (0.51) NAMPTITGB3ITGAVKDRLMNA
SCHEMBL2838519 0.84 LMNA (0.43) ITGB3ITGAVMAPK1LMNAALDH1A1
SCHEMBL6222693 0.84 ITGB3 (0.51) ITGB3HPSESIRT1ALDH1A1NPC1

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 14 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-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-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 (4 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 ROCK2 2835/4885NAMPT 357/4885ITGB3 1/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ROCK2 2835/4885NAMPT 357/4885ITGB3 1/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ROCK2 2835/4885NAMPT 357/4885ITGB3 1/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 ROCK2 2201/4885NAMPT 3667/4885ITGB3 1/4885

“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.