SCHEMBL919732

SCHEMBL919732

CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.49
ITGA4 P13612 17/20 0.49
ITGB7 P26010 7/20 0.49
ITGA2 P17301 1/20 0.49
ITGA5 P08648 3/20 0.48
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46

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
SCHEMBL919553 0.94 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL8232423 0.92 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL5784280 0.92 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL3821763 0.92 ITGB1 (0.49) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL919899 0.89 ITGB1 (0.47) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL918898 0.89 ITGA4 (0.46) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL4930145 0.89 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL13851719 0.88 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7538523 0.86 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL2855146 0.83 TACR1 (0.48) ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-31 US disclosed
US-8501809-B2 Inhibitors of α4 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-06 US disclosed
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION KAWAGUCHI TAKAYUKI 2011-03-31 US disclosed
US-7872151-B2 asthma, allergic conditions such as rhinitis, inflammatory bowel disease such as ulcerative colitis and Crohn's disease, rheumatoid arthritis, atopic dermatitis, multiple sclerosis; condensing N-(2,6-Difluorobenzoyl)-4-(2,6-dimethoxy-4-formal methylphenyl)-L-phenylalanine ethyl ester with ethanol MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20100113820-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION KAWAGUCHI TAKAYUKI 2010-05-06 US disclosed
US-7671090-B2 Administering N-(2,6-Dichlorobenzoyl)-4-(2,6-dimethoxy-4-methoxymethylphenyl)-L-phenylalanine ethyl ester for therapy of asthma, inflammatory bowel disease, rheumatoid arthritis and atopic dermatitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-02 US disclosed
US-20090111879-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION KAWAGUCHI TAKAYUKI 2009-04-30 US disclosed
US-7456217-B2 Inhibitors of alpha4 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-11-25 US disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-7026501-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2006-04-11 US disclosed
US-20050282900-A1 Inhibitors of alpha4 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1315694-B1 INHIBITORS OF ALPHA 4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-09-18 US disclosed
EP-1315694-A2 INHIBITORS OF ALPHA 4 MEDIATED CELL ADHESION Tanabe Seiyaku Co., Ltd. (JP) 2003-06-04 EP disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
WO-2002018320-A2 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2002-03-07 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 (7 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-20050282900-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ITGB1 24/4885ITGA4 2/4885ITGB7 98/4885
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGB1 24/4885ITGA4 2/4885ITGB7 98/4885
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGB1 24/4885ITGA4 2/4885ITGB7 98/4885
US-20100113820-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGB1 24/4885ITGA4 2/4885ITGB7 98/4885
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ITGB1 7/4885ITGA4 2/4885ITGB7 63/4885
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion ITGB4, VCAM1, EPCAM ITGB1 9/4885ITGA4 4/4885ITGB7 59/4885
US-20090111879-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGB1 24/4885ITGA4 2/4885ITGB7 98/4885

“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.