SCHEMBL2842335

SCHEMBL2842335

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
HDAC1 Q13547 4/20 0.38
AURKB Q96GD4 3/20 0.36
EGFR P00533 2/20 0.36
INCENP Q9NQS7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
DNMT1 P26358 1/20 0.34
DNMT3L Q9UJW3 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
AURKA O14965 2/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAPT P10636 1/20 0.33
GRM4 Q14833 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MAPK13 O15264 1/20 0.33

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
SCHEMBL2837279 0.94 ITGB3 (0.41) ITGB3ITGAVHDAC1
SCHEMBL2833605 0.90 ITGB3 (0.47) ITGB3ITGAVALDH1A1KMT2ADNMT1
SCHEMBL2833518 0.87 ITGB3 (0.42) ITGB3ITGAVAURKBEGFRINCENP
SCHEMBL2842042 0.85 ITGB3 (0.43) ITGB3ITGAVHDAC1HDAC3HDAC2
SCHEMBL2838850 0.85 NPC1 (0.43) ITGB3ITGAVKMT2APOLBGRM4
SCHEMBL2839631 0.84 ITGB3 (0.45) ITGB3ITGAVAURKBEGFRINCENP
SCHEMBL4372793 0.82 ADRA2A (0.46) ITGB3ITGAVADRA2AADRA2C
SCHEMBL2833713 0.82 ADRA2A (0.46) ITGB3ITGAVADRA2AADRA2C
SCHEMBL2838823 0.81 HDAC1 (0.42) ITGB3ITGAVHDAC1POLBHDAC3
SCHEMBL2837161 0.80 ITGB3 (0.44) ITGB3ITGAVALDH1A1

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.