SCHEMBL26107828

SCHEMBL26107828

CC(C)(C)OC(=O)NCC(NC(=O)c1c(Cl)ccc(N)c1Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.39
ICAM1 P05362 3/20 0.39
ITGAL P20701 3/20 0.39
ITGB1 P05556 7/20 0.38
ITGAV P06756 7/20 0.38
SYK P43405 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
AAK1 Q2M2I8 2/20 0.37
ITGA5 P08648 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB8 P26012 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL23978807 1.00 ITGB2 (0.39) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL21358871 0.85 ITGB1 (0.48) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL21358869 0.85 ITGB1 (0.48) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL23978613 0.85 AAK1 (0.37) SYKAAK1KDM4EIDO1
SCHEMBL26107081 0.83 PPARG (0.39) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL26107077 0.83 PPARG (0.39) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL23978757 0.79 ITGB1 (0.51) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL23978812 0.76 CTSL (0.45) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL30279367 0.76 CTSL (0.45) ITGB2ICAM1ITGALITGB1ITGAV
SCHEMBL26103779 0.76 CTSL (0.45) ITGB2ICAM1ITGALITGB1ITGAV

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 ITGB2 2/4885ICAM1 21/4885ITGAL 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.