SCHEMBL2433079

SCHEMBL2433079

COC(=O)C1CCC(OC(F)(C(=O)Cc2cc(Cl)c(NC(=O)c3c4ccccc4nn3C)cc2F)N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 15/20 0.42
ITGB1 P05556 13/20 0.42
ERBB2 P04626 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL2433076 1.00 ITGA4 (0.42) ITGA4ITGB1ERBB2FLT1FLT4
SCHEMBL2433500 0.94 ITGA4 (0.48) ITGA4ITGB1
SCHEMBL2433497 0.94 ITGA4 (0.48) ITGA4ITGB1
SCHEMBL2432107 0.88 ITGB1 (0.45) ITGA4ITGB1ERBB2
SCHEMBL2432104 0.88 ITGB1 (0.45) ITGA4ITGB1ERBB2
SCHEMBL2432030 0.85 ITGB1 (0.55) ITGA4ITGB1ERBB2
SCHEMBL2432033 0.85 ITGB1 (0.55) ITGA4ITGB1ERBB2
SCHEMBL2432892 0.85 ITGB1 (0.54) ITGA4ITGB1
SCHEMBL2435807 0.85 ITGB1 (0.60) ITGA4ITGB1
SCHEMBL2435804 0.85 ITGB1 (0.60) ITGA4ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGA4 4/4885ITGB1 5/4885ERBB2 1214/4885

“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.