SCHEMBL5806399

SCHEMBL5806399

COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)C1C2CCC(CC2)N1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.52
ITGA4 P13612 20/20 0.52

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
SCHEMBL8258817 1.00 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL8293264 0.83 MDM4 (0.49) ITGB1ITGA4
SCHEMBL8259404 0.83 CYP3A4 (0.44) ITGB1ITGA4
SCHEMBL8254376 0.82 CYP3A4 (0.47) ITGB1ITGA4
SCHEMBL5805018 0.82 CYP3A4 (0.47) ITGB1ITGA4
SCHEMBL6513562 0.81 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5804893 0.79 ITGA4 (0.64) ITGB1ITGA4
SCHEMBL8259306 0.79 CYP3A4 (0.44) ITGB1ITGA4
SCHEMBL5910985 0.79 CYP3A4 (0.44) ITGB1ITGA4
SCHEMBL8258982 0.78 ITGA4 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223846-A1 Aza-bridged-bicyclic amino acid derivatives as alpha4 integrin antagonists JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 US disclosed
WO-2006096807-A1 AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS ALPHA 4 INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-14 WO 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-20060223846-A1 Aza-bridged-bicyclic amino acid derivatives as alpha4 integrin antagonists ITGA4, ITGB4, ITGB7 ITGB1 7/4885ITGA4 1/4885

“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.