SCHEMBL30487534

SCHEMBL30487534

COC(=O)[C@H](CC(=O)N1CC(CCc2ccc3c(n2)NCCC3)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.64
ITGB6 P18564 18/20 0.64
ITGB3 P05106 2/20 0.53
ITGB5 P18084 2/20 0.53
ITGB1 P05556 1/20 0.49

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
SCHEMBL21317548 1.00 ITGAV (0.64) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL28744031 1.00 ITGAV (0.64) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20141635 0.93 ITGAV (0.72) ITGAVITGB6ITGB3ITGB5
SCHEMBL20141631 0.93 ITGAV (0.72) ITGAVITGB6ITGB3ITGB5
SCHEMBL20158234 0.90 ITGAV (0.62) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL30487502 0.88 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21826738 0.84 ITGAV (0.87) ITGAVITGB6
SCHEMBL21825970 0.84 ITGAV (0.87) ITGAVITGB6
SCHEMBL31125621 0.84 ITGAV (0.87) ITGAVITGB6
SCHEMBL21826141 0.84 ITGAV (0.87) ITGAVITGB6

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 4/4885ITGB6 12/4885ITGB3 6/4885

“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.