SCHEMBL2834262

SCHEMBL2834262

O=C(O)CC(c1cccnc1)[S+]([O-])c1ccccc1NC(=O)c1cccc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB3 P05106 4/20 0.47
ITGAV P06756 4/20 0.47
NAMPT P43490 6/20 0.45
HDAC1 Q13547 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ITGA2B P08514 1/20 0.42
IMPDH2 P12268 1/20 0.42
RAB9A P51151 1/20 0.42
KDR P35968 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
SCHEMBL4379968 0.92 ALDH1A1 (0.41) TSHRSMN1; SMN2L3MBTL1ITGB3ITGAV
SCHEMBL2842662 0.92 ALDH1A1 (0.41) TSHRSMN1; SMN2L3MBTL1ITGB3ITGAV
SCHEMBL2839463 0.92 ITGB3 (0.45) TSHRSMN1; SMN2L3MBTL1ITGB3ITGAV
SCHEMBL2836315 0.91 NAMPT (0.56) NAMPTHDAC1
SCHEMBL2841321 0.89 TSHR (0.51) TSHRSMN1; SMN2L3MBTL1ITGB3ITGAV
SCHEMBL2838905 0.88 TSHR (0.50) TSHRSMN1; SMN2L3MBTL1ITGB3ITGAV
SCHEMBL2839299 0.88 ITGB3 (0.49) ITGB3ITGAVHDAC1ITGA2BKDR
SCHEMBL2837043 0.86 ITGB3 (0.47) ITGB3ITGAVHDAC1ITGA2BKDR
SCHEMBL2837837 0.83 SIRT2 (0.42) TSHRL3MBTL1ITGB3ITGAVHDAC1
SCHEMBL2832015 0.83 NAMPT (0.47) ITGB3ITGAVNAMPTHDAC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282602-B1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA SPA (IT) 2005-09-21 EP claimed
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 TSHR 2924/4885SMN1; SMN2 2933/4885L3MBTL1 4374/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC TSHR 2924/4885SMN1; SMN2 2933/4885L3MBTL1 4374/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC TSHR 2924/4885SMN1; SMN2 2933/4885L3MBTL1 4374/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 TSHR 585/4885SMN1; SMN2 3614/4885L3MBTL1 3078/4885

“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.