SCHEMBL5068167

SCHEMBL5068167

CCC(CC(=O)OC)c1ccc(Cn2nccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.53
ITGA4 P13612 19/20 0.53
HDAC1 Q13547 1/20 0.44

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
SCHEMBL5068165 1.00 ITGB1 (0.53) ITGB1ITGA4HDAC1
SCHEMBL5070339 0.91 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL5070343 0.91 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL5070341 0.91 ITGB1 (0.53) ITGB1ITGA4HDAC1
SCHEMBL5068497 0.80 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL5068500 0.80 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL5068354 0.78 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5066849 0.78 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5066844 0.78 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5066822 0.76 ITGB1 (0.84) 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 2/4885HDAC1 385/4885

“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.