SCHEMBL14799578

SCHEMBL14799578

COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.56
ITGA4 P13612 19/20 0.56
ITGA2 P17301 1/20 0.56
ITGB7 P26010 1/20 0.56
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGB5 P18084 1/20 0.52

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
SCHEMBL6561292 1.00 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL6638467 0.94 ITGB1 (0.63) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL6561608 0.91 ITGB1 (0.69) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL27543603 0.91 ITGB1 (0.69) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL15140552 0.90 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL15140555 0.90 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL6512177 0.88 ITGB1 (0.53) ITGB1ITGA4ITGB3ITGAVITGA2B
SCHEMBL7480195 0.85 KLK5 (0.43) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL7104140 0.85 KLK5 (0.46) ITGB1ITGA4ITGA2ITGB7ITGB3
SCHEMBL7480191 0.85 KLK5 (0.43) ITGB1ITGA4ITGA2ITGB7ITGB3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery HOFFMANN-LA ROCHE, INC. (US) 2022-11-08 US disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
EP-2806896-B1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
EP-2806897-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-9650363-B2 Integrin antagonist conjugates for targeted delivery to cells expressing LFA-1 HOFFMANN-LA ROCHE INC. (US) 2017-05-16 US disclosed
EP-2806899-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-9447035-B2 Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 US disclosed
EP-2806898-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 F.HOFFMANN-LA ROCHE AG (CH) 2014-12-03 EP disclosed
EP-2806896-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY F.HOFFMANN-LA ROCHE AG (CH) 2014-12-03 EP disclosed
WO-2013110578-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
WO-2013110681-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
WO-2013110679-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
US-20130197205-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE INC. (US) 2013-08-01 US disclosed
WO-2013110680-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
WO-2013110681-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 US 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 ITGB1 1/4885ITGA4 2/4885ITGA2 9/4885
US-20130197205-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGA1 ITGB1 1/4885ITGA4 2/4885ITGA2 8/4885
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 ITGAV, ITGA1, ITGA4 ITGB1 6/4885ITGA4 3/4885ITGA2 4/4885
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery ITGB1, ITGA4, ITGB4 ITGB1 1/4885ITGA4 2/4885ITGA2 9/4885
US-20130079383-A1 Lipid Compounds Targeting VLA-4 LPAR4, ASGR1, VCAM1 ITGB1 20/4885ITGA4 4/4885ITGA2 15/4885

“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.