SCHEMBL30487291

SCHEMBL30487291

CCOC(=O)C[C@H](NC(=O)C1CC2(C1)CN(CCc1ccc3c(n1)NCCC3)C2)c1ccc(OC)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.53
ITGAV P06756 19/20 0.53
ITGB6 P18564 11/20 0.48
ITGB5 P18084 11/20 0.48
ITGB8 P26012 10/20 0.48
ITGA2B P08514 3/20 0.48
CXCR4 P61073 1/20 0.40

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
SCHEMBL21317530 1.00 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20142739 0.92 ITGB3 (0.62) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20142743 0.92 ITGB3 (0.62) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20157989 0.90 ITGAV (0.58) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23747189 0.89 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL30487513 0.89 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL21317528 0.87 ITGAV (0.51) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL21317575 0.85 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL30487491 0.85 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20142341 0.83 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB5ITGB8

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 claimed

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 4/4885ITGB6 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.