SCHEMBL30487526

SCHEMBL30487526

CCOC(=O)[C@H](CNC(=O)[C@H]1C[C@@H](Cc2ccc3c(n2)NCCC3)C1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.59
ITGB3 P05106 7/20 0.59
ITGB6 P18564 13/20 0.45
ITGA2B P08514 1/20 0.43

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
SCHEMBL20142777 0.92 ITGAV (0.69) ITGAVITGB3ITGB6ITGA2B
SCHEMBL20142779 0.92 ITGAV (0.69) ITGAVITGB3ITGB6ITGA2B
SCHEMBL20142776 0.92 ITGAV (0.69) ITGAVITGB3ITGB6ITGA2B
SCHEMBL20158395 0.92 ITGAV (0.50) ITGAVITGB3ITGB6
SCHEMBL20158245 0.92 ITGAV (0.50) ITGAVITGB3ITGB6
SCHEMBL23747209 0.86 ITGAV (0.43) ITGAVITGB3ITGB6
SCHEMBL21317579 0.86 ITGAV (0.43) ITGAVITGB3ITGB6
SCHEMBL20158287 0.85 ITGAV (0.72) ITGAVITGB3ITGB6
SCHEMBL21317538 0.85 ITGAV (0.72) ITGAVITGB3ITGB6
SCHEMBL20142830 0.85 ITGAV (0.72) ITGAVITGB3ITGB6

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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 6/4885ITGB6 12/4885

“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.