SCHEMBL20158096

SCHEMBL20158096

Cc1cc(C)n(-c2cccc(C(CC(=O)O)N3CCC(CCc4ccc5c(n4)NCCC5)CC3)c2)n1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.77
ITGB5 P18084 19/20 0.77
ITGB3 P05106 18/20 0.77
ITGB6 P18564 16/20 0.77
ITGB8 P26012 16/20 0.77
ITGB1 P05556 15/20 0.77
KCNH2 Q12809 5/20 0.77
ITGA5 P08648 1/20 0.77

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
SCHEMBL20158300 0.93 ITGAV (0.69) ITGAVITGB5ITGB3ITGB6ITGB8
SCHEMBL20139869 0.90 ITGAV (0.67) ITGAVITGB5ITGB3ITGB6ITGB8
SCHEMBL18092949 0.87 ITGB3 (0.79) ITGAVITGB5ITGB3ITGB6ITGB8
SCHEMBL16140844 0.87 ITGB3 (0.79) ITGAVITGB5ITGB3ITGB6ITGB8
SCHEMBL16115048 0.87 ITGB3 (0.79) ITGAVITGB5ITGB3ITGB6ITGB8
SCHEMBL23747184 0.87 ITGAV (0.59) ITGAVITGB5ITGB3ITGB6ITGB8
Gsk-3008348 Free Base SCHEMBL19894601 0.87 ITGB3 (1.00) ITGAVITGB5ITGB3ITGB6ITGB8
Gsk-3008348 Free Base SCHEMBL22634118 0.87 ITGB3 (1.00) ITGAVITGB5ITGB3ITGB6ITGB8
Gsk-3008348 Free Base SCHEMBL22634117 0.87 ITGB3 (1.00) ITGAVITGB5ITGB3ITGB6ITGB8
Gsk-3008348 Free Base SCHEMBL16140801 0.87 ITGB3 (1.00) ITGAVITGB5ITGB3ITGB6ITGB8

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