SCHEMBL30487525

SCHEMBL30487525

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.37
ITGAV P06756 12/20 0.37
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35
ITGA2B P08514 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
OXTR P30559 1/20 0.33
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL20158223 1.00 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL28744049 1.00 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL21314474 0.89 ITGAV (0.46) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL20140062 0.89 ITGAV (0.46) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL21314477 0.89 ITGAV (0.46) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL21317550 0.88 ITGB3 (0.35) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL28744166 0.88 ITGB3 (0.35) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL30487492 0.85 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL20141957 0.85 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL21317572 0.81 ITGAV (0.60) ITGB3ITGAVITGB1ITGA5ITGA2B

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 4/4885ITGB1 1/4885

“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.