SCHEMBL5070339

SCHEMBL5070339

CC[C@H](CC(=O)O)c1ccc(Cn2nccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3)c2=O)cc1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.59
ITGA4 P13612 20/20 0.59

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
SCHEMBL5070343 1.00 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL5070341 0.91 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL5068167 0.91 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL5068165 0.91 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL5066844 0.85 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5066849 0.85 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5068354 0.85 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5068128 0.78 ITGB1 (0.76) ITGB1ITGA4
SCHEMBL5068138 0.78 ITGB1 (0.76) ITGB1ITGA4
SCHEMBL5066820 0.74 ITGB1 (1.00) ITGB1ITGA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 ITGB1 5/4885ITGA4 2/4885

“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.