SCHEMBL919218

SCHEMBL919218

CCOC(=O)[C@H](Cc1ccc(-c2c(OC)cc(CO)cc2OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.52
ITGB7 P26010 2/20 0.52
SCN9A Q15858 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
TACR1 P25103 2/20 0.42
ACE P12821 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL4649226 0.93 ITGA4 (0.54) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL919680 0.93 ITGA4 (0.54) ITGA4ITGB7KLK5CTSSCTSK
SCHEMBL918852 0.92 ITGA4 (0.51) ITGA4ITGB7SCN9AKLK5CTSS
SCHEMBL1021219 0.90 ITGA4 (0.50) ITGA4ITGB7SCN9AKLK5CTSS
SCHEMBL4649451 0.86 ITGA4 (0.48) ITGA4ITGB7SCN9AKLK5CTSS
SCHEMBL4649453 0.86 ITGA4 (0.48) ITGA4ITGB7SCN9AKLK5CTSS
SCHEMBL4649458 0.86 ITGA4 (0.48) ITGA4ITGB7SCN9AKLK5CTSS
SCHEMBL21540449 0.85 ITGA4 (0.51) ITGA4ITGB7SCN9AKLK5CTSS
SCHEMBL21519758 0.81 ITGA4 (0.60) ITGA4ITGB7CTSSCTSKACE
SCHEMBL4314341 0.81 ITGA4 (0.60) ITGA4ITGB7CTSSCTSKACE

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 98/4885SCN9A 727/4885
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885SCN9A 727/4885
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885SCN9A 727/4885
US-20100113820-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885SCN9A 727/4885
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion ITGB4, VCAM1, EPCAM ITGA4 4/4885ITGB7 59/4885SCN9A 584/4885
US-20090111879-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 98/4885SCN9A 727/4885

“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.