SCHEMBL919060

SCHEMBL919060

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TPH1 P17752 11/20 0.43
ITGB1 P05556 3/20 0.40
ITGA4 P13612 3/20 0.40
ITGB7 P26010 1/20 0.40
LDHA P00338 1/20 0.40
OPRK1 P41145 1/20 0.39

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
Hydrochloric Acid SCHEMBL919058 0.99 ALDH1A1 (0.54) ALDH1A1TPH1ITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL27518697 0.99 ALDH1A1 (0.54) ALDH1A1TPH1ITGB1ITGA4ITGB7
SCHEMBL919730 0.90 TPH1 (0.52) ALDH1A1TPH1LDHA
Hydrochloric Acid SCHEMBL919728 0.89 TPH1 (0.53) ALDH1A1TPH1LDHA
Hydrochloric Acid SCHEMBL27504082 0.89 TPH1 (0.53) ALDH1A1TPH1LDHA
SCHEMBL21540448 0.85 ALDH1A1 (0.48) ALDH1A1TPH1ITGB1ITGA4ITGB7
SCHEMBL2058831 0.85 ALDH1A1 (0.52) ALDH1A1ITGB1ITGA4ITGB7OPRK1
SCHEMBL3833206 0.84 ALDH1A1 (0.51) ALDH1A1TPH1ITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5257231 0.84 ALDH1A1 (0.54) ALDH1A1ITGB1ITGA4ITGB7OPRK1
Hydrochloric Acid SCHEMBL5257235 0.84 ALDH1A1 (0.54) ALDH1A1ITGB1ITGA4ITGB7OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250339-A2 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2023-12-28 WO disclosed
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 ALDH1A1 372/4885TPH1 3122/4885ITGB1 24/4885
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ALDH1A1 372/4885TPH1 3122/4885ITGB1 24/4885
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ALDH1A1 372/4885TPH1 3122/4885ITGB1 24/4885
US-20100113820-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ALDH1A1 372/4885TPH1 3122/4885ITGB1 24/4885
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion ITGB4, VCAM1, EPCAM ALDH1A1 158/4885TPH1 3362/4885ITGB1 9/4885
US-20090111879-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 ALDH1A1 372/4885TPH1 3122/4885ITGB1 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.