SCHEMBL7102950

SCHEMBL7102950

COC[C@]1(C)CC[C@H](C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O)C1(C)C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.58
ITGB1 P05556 1/20 0.55

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
SCHEMBL7104152 1.00 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL7102615 0.94 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL7248245 0.94 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL7228221 0.94 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL7099728 0.92 ITGA4 (0.60) ITGA4ITGB1
SCHEMBL7099726 0.92 ITGA4 (0.60) ITGA4ITGB1
SCHEMBL7101130 0.88 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL7101133 0.88 ITGA4 (0.62) ITGA4ITGB1
SCHEMBL7509210 0.87 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL7099769 0.87 ITGA4 (0.59) ITGA4ITGB1

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-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 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 ITGA4 8/4885ITGB1 3/4885

“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.