SCHEMBL20158404

SCHEMBL20158404

CCCOC(=O)N[C@@H](CNC(=O)[C@H]1C[C@H](Cc2ccc3c(n2)NCCC3)C1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.53
ITGB3 P05106 4/20 0.53
ITGB6 P18564 16/20 0.53

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
SCHEMBL21314371 1.00 ITGAV (0.53) ITGAVITGB3ITGB6
SCHEMBL21314356 1.00 ITGAV (0.53) ITGAVITGB3ITGB6
SCHEMBL20158278 1.00 ITGAV (0.53) ITGAVITGB3ITGB6
SCHEMBL21314374 0.89 ITGAV (0.53) ITGAVITGB3ITGB6
SCHEMBL21314372 0.89 ITGAV (0.53) ITGAVITGB3ITGB6
SCHEMBL21317559 0.89 ITGAV (0.53) ITGAVITGB3ITGB6
SCHEMBL20142777 0.88 ITGAV (0.69) ITGAVITGB3ITGB6
SCHEMBL20142779 0.88 ITGAV (0.69) ITGAVITGB3ITGB6
SCHEMBL20142776 0.88 ITGAV (0.69) ITGAVITGB3ITGB6
SCHEMBL30487526 0.84 ITGAV (0.59) ITGAVITGB3ITGB6

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 2/4885ITGB3 7/4885ITGB6 15/4885

“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.