SCHEMBL30487542

SCHEMBL30487542

CCOC(=O)C[C@H](NC(=O)C1(C)CC(C=Cc2ccc3c(n2)NCCC3)C1)c1ccc(OC)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.45
ITGAV P06756 20/20 0.45
ITGB6 P18564 5/20 0.43
ITGA2B P08514 3/20 0.43
ITGB1 P05556 2/20 0.43
ITGA5 P08648 2/20 0.43
ITGB8 P26012 2/20 0.43
ITGB5 P18084 2/20 0.42

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
SCHEMBL21317535 1.00 ITGB3 (0.45) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20141882 0.92 ITGB3 (0.51) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20141879 0.92 ITGB3 (0.51) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL30487543 0.88 ITGB3 (0.46) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20158199 0.88 ITGB3 (0.46) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20158048 0.84 ITGAV (0.53) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL30487529 0.84 ITGAV (0.53) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20142360 0.80 ITGAV (0.53) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20142358 0.80 ITGAV (0.53) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL20158238 0.79 LMNA (0.39) ITGB1

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 4/4885ITGB6 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.