SCHEMBL24946013

SCHEMBL24946013

COC(=O)N[C@@H](Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 1.00
ITGB7 P26010 20/20 1.00
ITGB1 P05556 9/20 0.73

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
SCHEMBL8282104 0.91 ITGA4 (1.00) ITGA4ITGB7ITGB1
SCHEMBL6028867 0.90 ITGA4 (1.00) ITGA4ITGB7ITGB1
SCHEMBL6028861 0.90 ITGA4 (1.00) ITGA4ITGB7ITGB1
SCHEMBL24945903 0.89 ITGA4 (1.00) ITGA4ITGB7ITGB1
SCHEMBL5211422 0.87 ITGA4 (0.82) ITGA4ITGB7ITGB1
SCHEMBL8282142 0.87 ITGA4 (0.82) ITGA4ITGB7ITGB1
SCHEMBL6030193 0.86 ITGA4 (0.76) ITGA4ITGB7ITGB1
SCHEMBL6029683 0.86 ITGA4 (0.76) ITGA4ITGB7ITGB1
SCHEMBL8281604 0.86 ITGA4 (0.76) ITGA4ITGB7ITGB1
SCHEMBL6471070 0.86 ITGA4 (0.76) ITGA4ITGB7ITGB1

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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 ITGA4 17/4885ITGB7 20/4885ITGB1 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.