SCHEMBL5158670

SCHEMBL5158670

COc1ccccc1Nc1nc2ccc(CC(=O)C(C)O[C@H]3CCN(c4ncc(CCC(=O)O)o4)C3)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.43
ITGB1 P05556 4/20 0.40
ALK Q9UM73 5/20 0.35
INSR P06213 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MGLL Q99685 1/20 0.34
ACACA Q13085 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL5161598 0.95 ITGA4 (0.40) ITGA4ITGB1ALKINSRLMNA
SCHEMBL5428420 0.92 ITGA4 (0.51) ITGA4ITGB1LMNAMAPTACACA
SCHEMBL5158658 0.88 ITGA4 (0.41) ITGA4ITGB1ALKLMNARORC
SCHEMBL5161591 0.83 ITGA4 (0.39) ITGA4ITGB1ALKINSRLMNA
SCHEMBL5423356 0.82 ITGB1 (0.45) ITGA4ITGB1
SCHEMBL5428419 0.80 ITGA4 (0.49) ITGA4ITGB1LMNAMAPTRORC
SCHEMBL14608783 0.79 ITGA4 (0.48) ITGA4ITGB1LMNA
SCHEMBL5160604 0.77 ITGB1 (0.43) ITGA4ITGB1
SCHEMBL5163271 0.77 ITGB1 (0.52) ITGA4ITGB1
SCHEMBL14371879 0.76 ITGA4 (0.46) ITGA4ITGB1LMNA

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ITGA4 3/4885ITGB1 9/4885ALK 939/4885

“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.