SCHEMBL20157743

SCHEMBL20157743

COC(=O)C[C@H](NC(=O)C1CCN(CCc2cc3c(nc2C)NCCC3)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.42
ITGB6 P18564 14/20 0.42
ITGB3 P05106 10/20 0.42
ITGB5 P18084 6/20 0.42
ITGB8 P26012 4/20 0.42
ITGA2B P08514 4/20 0.42

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
SCHEMBL20157746 0.93 ITGAV (0.50) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL20142118 0.89 ITGB3 (0.41) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL21314490 0.89 ITGB3 (0.41) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL20157750 0.85 ITGAV (0.57) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL21317527 0.83 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL20142853 0.82 ITGB3 (0.48) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL29701374 0.82 ITGB3 (0.48) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL20142850 0.82 ITGB3 (0.48) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL20157742 0.81 OPRM1 (0.42) ITGB3ITGA2B
SCHEMBL20158348 0.79 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5ITGB8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB6 15/4885ITGB3 7/4885

“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.