SCHEMBL2837518

SCHEMBL2837518

O=C(O)CC(c1ccccc1)[S+]([O-])c1ccc(NC(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.54
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL2837569 0.91 ROCK2 (0.47) NAMPTCA12CA1CA2CA9
SCHEMBL2833588 0.91 NAMPT (0.52) NAMPTMAPTCA12CA1CA2
SCHEMBL2837015 0.91 NAMPT (0.54) NAMPTHDAC1
SCHEMBL2833516 0.90 NAMPT (0.42) NAMPTMAPTHDAC1HDAC6
SCHEMBL2832077 0.87 NAMPT (0.48) NAMPTMAPTCA12CA1CA2
SCHEMBL2834794 0.84 ITGB3 (0.47) NAMPTMAPTNPC1RAB9AROCK2
SCHEMBL2838643 0.84 MAPT (0.43) MAPTCA12CA1CA2CA9
SCHEMBL2838905 0.83 TSHR (0.50) NAMPTNPC1
SCHEMBL2833174 0.83 NAMPT (0.52) NAMPTHDAC1
SCHEMBL2841455 0.82 ITGB3 (0.44) MAPTCA12CA1CA2CA9

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-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 (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 NAMPT 357/4885MAPT 2454/4885CA12 2434/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC NAMPT 357/4885MAPT 2454/4885CA12 2434/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 NAMPT 3667/4885MAPT 4664/4885CA12 3237/4885

“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.