SCHEMBL21519782

SCHEMBL21519782

COCCOCCOCCOCc1cc(OC)c(-c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.57
ITGB7 P26010 8/20 0.57
PPARA Q07869 2/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ACE P12821 1/20 0.48
PPARG P37231 1/20 0.47
ITGB1 P05556 7/20 0.45
PTPN1 P18031 2/20 0.45
ITGAV P06756 1/20 0.45
ITGB5 P18084 1/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45

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
SCHEMBL21519780 1.00 ITGA4 (0.57) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL21519750 0.99 ITGA4 (0.58) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL21519752 0.99 ITGA4 (0.58) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL30677955 0.93 ITGA4 (0.49) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL21540552 0.93 ITGA4 (0.49) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL21540490 0.92 ITGA4 (0.49) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL21519758 0.90 ITGA4 (0.60) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL4314341 0.90 ITGA4 (0.60) ITGA4ITGB7PPARAITGB3ITGA2B
SCHEMBL7382968 0.82 ITGA4 (0.67) ITGA4ITGB7ACEITGB1CTSS
SCHEMBL21540449 0.82 ITGA4 (0.51) ITGA4ITGB7PPARAACEPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF SAINT LOUIS UNIVERSITY 2019-10-31 US 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-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF CXCL12, CXCR4, SDF4 ITGA4 7/4885ITGB7 16/4885PPARA 929/4885

“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.