SCHEMBL2834794

SCHEMBL2834794

O=C(O)CC(c1ccccc1)[S+]([O-])c1cccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGAV P06756 3/20 0.47
KDR P35968 1/20 0.46
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
ROCK2 O75116 1/20 0.44
NAMPT P43490 4/20 0.43
CASR P41180 1/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
SENP1 Q9P0U3 1/20 0.41

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
SCHEMBL2833588 0.94 NAMPT (0.52) ITGB3ITGAVKDRNAMPTMAPT
SCHEMBL2837569 0.94 ROCK2 (0.47) ITGB3ITGAVKDRMAPK1LMNA
SCHEMBL2841321 0.92 TSHR (0.51) ITGB3ITGAVKDRLMNANAMPT
SCHEMBL2838519 0.91 LMNA (0.43) ITGB3ITGAVMAPK1LMNARAB9A
SCHEMBL2839463 0.87 ITGB3 (0.45) ITGB3ITGAVKDRMAPK1LMNA
SCHEMBL2833174 0.85 NAMPT (0.52) ITGB3ITGAVNAMPTSMN1; SMN2TSHR
SCHEMBL2838905 0.85 TSHR (0.50) ITGB3ITGAVNAMPTNPC1SMN1; SMN2
SCHEMBL2836503 0.85 ITGB3 (0.44) ITGB3ITGAVRAB9AHTTNPC1
SCHEMBL2833009 0.84 HPSE (0.42) ITGB3ITGAVNAMPTKMT2ASENP1
SCHEMBL2838511 0.84 ITGB3 (0.43) ITGB3ITGAVMAPK1LMNAROCK2

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 13 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
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 ITGB3 1/4885ITGAV 16/4885KDR 1521/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885KDR 1521/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885KDR 1521/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 ITGB3 1/4885ITGAV 47/4885KDR 98/4885

“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.