SCHEMBL20157746

SCHEMBL20157746

Cc1nc2c(cc1CCN1CCC(C(=O)N[C@@H](CC(=O)O)c3cc(Cl)cc(Cl)c3)CC1)CCCN2

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.50
ITGB3 P05106 16/20 0.50
ITGB5 P18084 12/20 0.50
ITGB6 P18564 12/20 0.50
ITGB8 P26012 8/20 0.50
ITGA2B P08514 3/20 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
SCHEMBL20157743 0.93 ITGAV (0.42) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20142850 0.89 ITGB3 (0.48) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL29701374 0.89 ITGB3 (0.48) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20142853 0.89 ITGB3 (0.48) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20158389 0.86 ITGAV (0.66) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20157744 0.83 ITGAV (0.69) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL20142118 0.82 ITGB3 (0.41) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21314490 0.82 ITGB3 (0.41) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21272314 0.80 ITGB3 (0.50) ITGAVITGB3ITGB5ITGB6ITGB8
SCHEMBL21317527 0.79 ITGAV (0.53) ITGAVITGB3ITGB5ITGB6ITGB8

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