SCHEMBL7101980

SCHEMBL7101980

CC1(C)[C@@H](C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O)CC[C@@]1(C)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.59
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
SCHEMBL7521641 1.00 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL7101978 1.00 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL7098683 0.93 ITGA4 (0.51) ITGA4ITGB1
SCHEMBL7098680 0.93 ITGA4 (0.51) ITGA4ITGB1
SCHEMBL7098304 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7098305 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7102227 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7242947 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7102228 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7098069 0.93 ITGA4 (0.61) 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 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 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.