SCHEMBL20157735

SCHEMBL20157735

O=C(O)C[C@H](NC(=O)C1CCC(NC(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGB5 P18084 15/20 0.69
ITGB6 P18564 13/20 0.69
ITGB8 P26012 13/20 0.69
ITGA2B P08514 3/20 0.57

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
SCHEMBL20142297 0.90 ITGB3 (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20142299 0.90 ITGB3 (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL29701369 0.90 ITGB3 (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20158347 0.86 ITGAV (0.76) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20158389 0.85 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21317552 0.84 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21314486 0.84 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21314362 0.84 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL29701363 0.84 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20157763 0.84 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8

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 ITGB3 8/4885ITGAV 2/4885ITGB5 6/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGB3 7/4885ITGAV 2/4885ITGB5 6/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 6/4885ITGAV 4/4885ITGB5 7/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 7/4885ITGAV 4/4885ITGB5 6/4885

“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.