SCHEMBL244700

SCHEMBL244700

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(OCCNC2=NCCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 14/20 1.00
ITGA2B P08514 10/20 0.63

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
SCHEMBL6649836 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7490912 0.95 ITGB3 (0.91) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7033902 0.88 ITGB3 (0.78) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7033899 0.88 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL14387907 0.87 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL23718779 0.86 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL13170290 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14356381 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14387730 0.86 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7036728 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004070009-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME INC. (US) 2004-08-19 WO claimed
EP-1401818-A2 TARGETED MULTIVALENT MACROMOLECULES Targesome, Inc. (US) 2004-03-31 EP claimed
US-20030133972-A1 Targeted multivalent macromolecules TARGESOME, INC. 2003-07-17 US claimed
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity TARGESOME, INC. 2003-07-10 US claimed
WO-2002096367-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME, INC. (US) 2002-12-05 WO claimed
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY GENESTE HERVE (DE) 2012-01-05 US disclosed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 US disclosed
WO-2004070009-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME INC. (US) 2004-08-19 WO disclosed
EP-1420831-A1 LIPID CONSTRUCTS AS THERAPEUTIC AND IMAGING AGENTS Targesome, Inc. (US) 2004-05-26 EP disclosed
EP-1401818-A2 TARGETED MULTIVALENT MACROMOLECULES Targesome, Inc. (US) 2004-03-31 EP disclosed
US-20030133972-A1 Targeted multivalent macromolecules TARGESOME, INC. 2003-07-17 US disclosed
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity TARGESOME, INC. 2003-07-10 US disclosed
WO-2003011345-A1 LIPID CONSTRUCTS AS THERAPEUTIC AND IMAGING AGENTS TARGESOME, INC. (US) 2003-02-13 WO disclosed
WO-2002096367-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME, INC. (US) 2002-12-05 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 (5 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-20030133972-A1 Targeted multivalent macromolecules CLTB, ILK, CD44 ITGB3 290/4885ITGAV 72/4885ITGA2B 138/4885
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN ITGB3 1/4885ITGAV 11/4885ITGA2B 10/4885
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity CD47, TSG101, ILK ITGB3 831/4885ITGAV 207/4885ITGA2B 308/4885
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 ITGB3 3/4885ITGAV 4/4885ITGA2B 12/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGA2B 9/4885

“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.