SCHEMBL24945374

SCHEMBL24945374

CO[C@H]1C[C@@H](COC2CCCCC2)N(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2Cl)C1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 19/20 0.86
ITGB1 P05556 16/20 0.86
S1PR2 O95136 1/20 0.41

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
SCHEMBL14254439 0.94 ITGB1 (0.87) ITGA4ITGB1S1PR2
SCHEMBL14254446 0.94 ITGB1 (0.87) ITGA4ITGB1S1PR2
SCHEMBL14263705 0.92 ITGB1 (0.85) ITGA4ITGB1S1PR2
SCHEMBL13437466 0.92 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14263692 0.92 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL12863716 0.92 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL29646240 0.92 ITGB1 (0.89) ITGA4ITGB1
SCHEMBL3571480 0.92 ITGB1 (0.89) ITGA4ITGB1
SCHEMBL13462334 0.91 ITGB1 (0.86) ITGA4ITGB1
SCHEMBL14254458 0.91 ITGB1 (0.86) 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 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 17/4885ITGB1 3/4885S1PR2 1461/4885

“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.