SCHEMBL919064

SCHEMBL919064

CCOCCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC(C)(C)C)cc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.52
ITGB7 P26010 19/20 0.52
ITGB1 P05556 16/20 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
SCHEMBL3195442 0.90 ITGA4 (0.42) ITGA4ITGB7ITGB1
SCHEMBL918865 0.90 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL919261 0.89 ITGA4 (0.61) ITGA4ITGB7ITGB1
SCHEMBL5787685 0.88 ITGA4 (0.56) ITGA4ITGB7ITGB1
SCHEMBL3188379 0.84 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL6504143 0.83 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL919424 0.83 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL5783508 0.82 ITGA4 (0.54) ITGA4ITGB7ITGB1
SCHEMBL5783566 0.82 ITGA4 (0.56) ITGA4ITGB7ITGB1
SCHEMBL919017 0.81 ITGA4 (0.56) ITGA4ITGB7ITGB1

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-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
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-20030176498-A1 Inhibitors of alpha4mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-09-18 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 (6 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 ITGA4 2/4885ITGB7 98/4885ITGB1 24/4885
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885ITGB1 24/4885
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885ITGB1 24/4885
US-20100113820-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885ITGB1 24/4885
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion ITGB4, VCAM1, EPCAM ITGA4 4/4885ITGB7 59/4885ITGB1 9/4885
US-20090111879-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885ITGB1 24/4885

“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.