SCHEMBL30487536

SCHEMBL30487536

CCOC(=O)[C@H](CC(=O)N1CC(CCc2ccc3c(n2)NCCC3)C1)NC(=O)OCC1CCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.52
ITGB6 P18564 11/20 0.52
ITGB3 P05106 9/20 0.51
ITGB5 P18084 9/20 0.51
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
SCHEMBL23747141 1.00 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL30487502 0.94 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20141584 0.92 ITGAV (0.57) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20141583 0.92 ITGAV (0.57) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20158302 0.89 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20141345 0.84 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5
SCHEMBL20141348 0.84 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5
SCHEMBL21317549 0.82 ITGB3 (0.59) ITGAVITGB3ITGB5ITGB1
SCHEMBL30487519 0.82 ITGB3 (0.59) ITGAVITGB3ITGB5ITGB1
SCHEMBL21317548 0.82 ITGAV (0.64) ITGAVITGB6ITGB3ITGB5ITGB1

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.