SCHEMBL20157760

SCHEMBL20157760

COc1ccc(C(CC(=O)O)N2CCC(CCc3ccc4c(n3)NCCC4)CC2)cn1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.71
ITGB3 P05106 19/20 0.71
ITGB1 P05556 3/20 0.71
ITGA5 P08648 2/20 0.71
ITGB5 P18084 7/20 0.68
ITGA2B P08514 4/20 0.68
ITGB6 P18564 5/20 0.66
ITGB8 P26012 2/20 0.66

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
SCHEMBL20158293 0.92 ITGAV (0.69) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL20141207 0.91 ITGAV (0.72) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL29797255 0.91 ITGAV (0.72) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL20141211 0.91 ITGAV (0.72) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL29701344 0.89 ITGAV (0.67) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL20141426 0.89 ITGAV (0.67) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL20158095 0.88 ITGB3 (0.65) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL20158269 0.88 ITGAV (0.74) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL21314388 0.88 ITGAV (0.74) ITGAVITGB3ITGB1ITGA5ITGB5
SCHEMBL29701389 0.88 ITGAV (0.74) ITGAVITGB3ITGB1ITGA5ITGB5

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 8/4885ITGB1 1/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB3 7/4885ITGB1 1/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 6/4885ITGB1 1/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 7/4885ITGB1 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.