SCHEMBL30487524

SCHEMBL30487524

CCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3cccnc3n2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.40
ITGB3 P05106 15/20 0.40
ITGB6 P18564 3/20 0.40
ITGB1 P05556 2/20 0.40
ITGA5 P08648 2/20 0.40
ITGB8 P26012 2/20 0.40
ITGA2B P08514 2/20 0.40
SUCNR1 Q9BXA5 3/20 0.33
OXGR1 Q96P68 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL20158358 1.00 ITGAV (0.40) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL20142245 0.92 ITGAV (0.48) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL20158363 0.85 ITGB3 (0.37) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL30487533 0.85 ITGB3 (0.37) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL21317495 0.84 ITGB3 (0.41) ITGAVITGB3ITGB6ITGA2BSUCNR1
SCHEMBL29702190 0.84 ITGB3 (0.41) ITGAVITGB3ITGB6ITGA2BSUCNR1
SCHEMBL20158360 0.84 ITGAV (0.60) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL30487493 0.84 ITGAV (0.60) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL20141957 0.83 ITGAV (0.40) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL30487492 0.83 ITGAV (0.40) ITGAVITGB3ITGB6ITGB1ITGA5

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 4/4885ITGB3 6/4885ITGB6 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.