SCHEMBL2838239

SCHEMBL2838239

O=C(O)CC(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1ccc(Nc2ncc[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.45
ITGAV P06756 3/20 0.45
HDAC1 Q13547 2/20 0.39
ALK Q9UM73 1/20 0.38
EGFR P00533 2/20 0.36
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 1/20 0.36
TRPV1 Q8NER1 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.34
DNMT1 P26358 1/20 0.34
DNMT3L Q9UJW3 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2834753 0.93 ITGB3 (0.42) ITGB3ITGAVHDAC1ALK
SCHEMBL2833780 0.90 ITGB3 (0.51) ITGB3ITGAVKMT2AALDH1A1MEN1
SCHEMBL2833694 0.87 ITGB3 (0.48) ITGB3ITGAVEGFRAURKBINCENP
SCHEMBL2833513 0.85 NPC1 (0.43) ITGB3ITGAVHDAC1ALKKMT2A
SCHEMBL2834509 0.84 ITGB3 (0.47) ITGB3ITGAVHDAC1ALDH1A1
SCHEMBL2837967 0.84 ITGB3 (0.54) ITGB3ITGAVEGFRAURKBINCENP
SCHEMBL2834316 0.82 ADRA2A (0.46) ITGB3ITGAV
SCHEMBL2835220 0.80 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL2839776 0.80 CA2 (0.43) ITGB3ITGAVHDAC1CA1CA2
SCHEMBL20575275 0.80 CA1 (0.34) ITGB3ITGAVHDAC1ALKCA1

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 12 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
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 ITGB3 1/4885ITGAV 16/4885HDAC1 2174/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885HDAC1 2174/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 ITGB3 1/4885ITGAV 47/4885HDAC1 3299/4885

“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.