SCHEMBL5782166

SCHEMBL5782166

COC(=O)[C@H](Cc1ccc(-c2ccccc2[S+](C)[O-])cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 19/20 0.48
ITGB7 P26010 17/20 0.48
ITGB1 P05556 17/20 0.48
CDK2 P24941 1/20 0.46
ITGA2 P17301 1/20 0.44

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
SCHEMBL5782780 0.90 ITGA4 (0.60) ITGA4ITGB7ITGB1ITGA2
SCHEMBL5786480 0.85 ITGA4 (0.53) ITGA4ITGB7ITGB1CDK2ITGA2
SCHEMBL5783839 0.85 ITGA4 (0.52) ITGA4ITGB7ITGB1CDK2ITGA2
SCHEMBL5786141 0.84 ITGA4 (0.51) ITGA4ITGB7ITGB1CDK2ITGA2
SCHEMBL5784049 0.84 ITGA4 (0.57) ITGA4ITGB7ITGB1
SCHEMBL5784760 0.84 ITGA4 (0.57) ITGA4ITGB7ITGB1
SCHEMBL5785648 0.84 ITGA4 (0.53) ITGA4ITGB7ITGB1CDK2ITGA2
SCHEMBL5780962 0.83 CDK2 (0.56) ITGA4ITGB7ITGB1CDK2
SCHEMBL5786886 0.83 ITGA4 (0.52) ITGA4ITGB7ITGB1CDK2ITGA2
SCHEMBL5784505 0.82 NOS2 (0.52) ITGA4ITGB7ITGB1CDK2ITGA2

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.