SCHEMBL7098878

SCHEMBL7098878

CC1(C)[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)CC[C@@]1(C)C(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.58
ITGA4 P13612 20/20 0.58
ITGB7 P26010 2/20 0.54
ITGA2 P17301 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
SCHEMBL7098877 1.00 ITGB1 (0.58) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7103823 0.93 ITGB1 (0.50) ITGB1ITGA4ITGB7
SCHEMBL7103821 0.93 ITGB1 (0.50) ITGB1ITGA4ITGB7
SCHEMBL7098060 0.88 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7105444 0.88 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7097651 0.88 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7104171 0.88 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7100655 0.88 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7098677 0.88 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7098073 0.88 ITGB1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 ITGB1 3/4885ITGA4 8/4885ITGB7 44/4885

“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.