SCHEMBL2433580

SCHEMBL2433580

COc1cc(C(F)C(=O)C(F)(OC2CCC(C(=O)O)CC2)N2CCCC2)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.47
ITGA4 P13612 9/20 0.47
MTTP P55157 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
BRPF1 P55201 2/20 0.36
BRD4 O60885 1/20 0.36
BRD1 O95696 1/20 0.36
TAF1 P21675 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
BRPF3 Q9ULD4 1/20 0.36
POLB P06746 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
SCHEMBL5358150 0.92 ITGB1 (0.50) ITGB1ITGA4
SCHEMBL2434296 0.85 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL2432149 0.83 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL2431945 0.82 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL5364196 0.79 ITGB1 (0.52) ITGB1ITGA4POLB
SCHEMBL2432400 0.79 ITGB1 (0.52) ITGB1ITGA4POLB
SCHEMBL5354055 0.79 ITGB1 (0.39) ITGB1ITGA4ALDH1A1
SCHEMBL2429782 0.78 MEN1 (0.48) ITGB1ITGA4ALDH1A1MEN1KMT2A
SCHEMBL2432091 0.78 ITGB1 (0.62) ITGB1ITGA4
SCHEMBL1170754 0.78 ITGB1 (0.49) ITGB1ITGA4

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 ITGB1 5/4885ITGA4 4/4885MTTP 1811/4885

“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.