SCHEMBL20158360

SCHEMBL20158360

CCOC(=O)C[C@@H](c1ccc(OC)nc1)N1CC(CCCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.60
ITGB3 P05106 18/20 0.60
ITGB6 P18564 5/20 0.60
ITGA2B P08514 3/20 0.60
ITGB8 P26012 3/20 0.60
ITGB1 P05556 2/20 0.60
ITGA5 P08648 2/20 0.60
ITGB5 P18084 1/20 0.49

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
SCHEMBL30487493 1.00 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20158279 0.92 ITGAV (0.71) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL29701391 0.92 ITGAV (0.71) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20141183 0.92 ITGAV (0.71) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL20157753 0.89 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL21314357 0.89 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL29701424 0.89 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL21317494 0.84 ITGAV (0.62) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL21317572 0.84 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL30487437 0.84 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB8

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 5 patents. 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
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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 (4 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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 8/4885ITGB6 14/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 7/4885ITGB6 15/4885
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
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 7/4885ITGB6 11/4885

“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.