SCHEMBL5783508

SCHEMBL5783508

COc1cc(CN2C(=O)CCC2=O)cc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.54
ITGB7 P26010 19/20 0.54
ITGB1 P05556 16/20 0.54

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
SCHEMBL5787685 0.87 ITGA4 (0.56) ITGA4ITGB7ITGB1
SCHEMBL918865 0.85 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL919064 0.82 ITGA4 (0.52) ITGA4ITGB7ITGB1
SCHEMBL5782124 0.80 ITGA4 (0.49) ITGA4ITGB7ITGB1
SCHEMBL5782940 0.79 ITGA4 (0.61) ITGA4ITGB7ITGB1
SCHEMBL919077 0.78 ITGA4 (0.59) ITGA4ITGB7ITGB1
SCHEMBL919070 0.78 ITGA4 (0.59) ITGA4ITGB7ITGB1
SCHEMBL5788334 0.77 ITGA4 (0.51) ITGA4ITGB7ITGB1
SCHEMBL5781376 0.77 ITGA4 (0.70) ITGA4ITGB7ITGB1
Hydrochloric Acid SCHEMBL5788330 0.77 ITGA4 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 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-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 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 (1 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ITGA4 2/4885ITGB7 63/4885ITGB1 7/4885

“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.