SCHEMBL30487519

SCHEMBL30487519

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

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.59
ITGAV P06756 20/20 0.59
ITGB5 P18084 20/20 0.59
ITGB1 P05556 1/20 0.53

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
SCHEMBL21317549 1.00 ITGB3 (0.59) ITGB3ITGAVITGB5ITGB1
SCHEMBL28744065 0.92 ITGAV (0.59) ITGB3ITGAVITGB5ITGB1
SCHEMBL29702145 0.92 ITGAV (0.59) ITGB3ITGAVITGB5ITGB1
SCHEMBL23747206 0.92 ITGAV (0.59) ITGB3ITGAVITGB5ITGB1
SCHEMBL20140620 0.88 ITGB3 (0.66) ITGB3ITGAVITGB5ITGB1
SCHEMBL20140619 0.88 ITGB3 (0.66) ITGB3ITGAVITGB5ITGB1
SCHEMBL20158216 0.87 ITGB3 (0.64) ITGB3ITGAVITGB5ITGB1
SCHEMBL21317569 0.85 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1
SCHEMBL29702288 0.85 ITGAV (0.56) ITGB3ITGAVITGB5ITGB1
SCHEMBL23747141 0.82 ITGAV (0.52) ITGB3ITGAVITGB5ITGB1

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 ITGB3 6/4885ITGAV 4/4885ITGB5 7/4885

“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.