SCHEMBL2838519

SCHEMBL2838519

N=C(NCc1ccccc1)Nc1cccc(C(=O)Nc2cccc([S+]([O-])C(CC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 2/20 0.39
SENP1 Q9P0U3 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL2838511 0.94 ITGB3 (0.43) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL2833009 0.94 HPSE (0.42) KMT2AITGB3ITGAVITGA2BSENP1
SCHEMBL2836312 0.92 NAMPT (0.44) LMNAMAPK1ALDH1A1HTTITGB3
SCHEMBL2834794 0.91 ITGB3 (0.47) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL2837837 0.88 SIRT2 (0.42) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL2836929 0.86 NAMPT (0.46) LMNAALDH1A1HTTKMT2AITGB3
SCHEMBL2836523 0.86 ADRB2 (0.44) LMNAALDH1A1ITGB3ITGAVITGA2B
SCHEMBL4379581 0.86 NAMPT (0.46) LMNAALDH1A1HTTKMT2AITGB3
SCHEMBL2837208 0.86 ITGB3 (0.47) HTTRAB9AKMT2ANPC1ITGB3
SCHEMBL2833516 0.85 NAMPT (0.42) ALDH1A1HTTKMT2AITGB3ITGA2B

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 LMNA 891/4885MAPK1 4243/4885ALDH1A1 3511/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC LMNA 891/4885MAPK1 4243/4885ALDH1A1 3511/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 LMNA 2916/4885MAPK1 1663/4885ALDH1A1 2043/4885

“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.