SCHEMBL5787653

SCHEMBL5787653

CCCCNC(=O)c1ccccc1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.57
ITGA4 P13612 17/20 0.57
ITGB7 P26010 12/20 0.57
ITGA5 P08648 1/20 0.55
ITGAV P06756 1/20 0.54
ITGA2 P17301 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL5786217 0.92 ITGB1 (0.56) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL5787797 0.90 ITGB1 (0.58) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL5784333 0.86 ITGA4 (0.60) ITGB1ITGA4ITGB7ITGAVITGA2
SCHEMBL5782667 0.86 ITGA4 (0.63) ITGB1ITGA4ITGB7ITGA2
SCHEMBL5786791 0.85 ITGA4 (0.63) ITGB1ITGA4ITGB7ITGA2
SCHEMBL5784741 0.83 ITGA4 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL5784378 0.82 ITGA4 (0.66) ITGB1ITGA4ITGB7ITGA2
SCHEMBL5784537 0.82 TACR2 (0.61) ITGB1ITGA4ITGB7HPGD
SCHEMBL5785077 0.80 ITGA4 (0.63) ITGB1ITGA4ITGB7ITGA2
SCHEMBL5785996 0.80 ITGA4 (0.64) ITGB1ITGA4ITGB7ITGA2

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 ITGB1 7/4885ITGA4 2/4885ITGB7 63/4885

“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.