SCHEMBL5161591

SCHEMBL5161591

COC(=O)CCc1cnc(N2CCC[C@@H]2OC(C)C(=O)Cc2ccc3nc(Nc4ccccc4OC)oc3c2)o1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 10/20 0.39
ITGB1 P05556 4/20 0.37
RORC P51449 1/20 0.34
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
SSTR5 P35346 2/20 0.33
ALK Q9UM73 2/20 0.32
INSR P06213 1/20 0.32
HCRTR1 O43613 2/20 0.32

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
SCHEMBL5158658 0.95 ITGA4 (0.41) ITGA4ITGB1RORCABL1LMNA
SCHEMBL5161598 0.88 ITGA4 (0.40) ITGA4ITGB1RORCLMNASSTR5
SCHEMBL5428419 0.87 ITGA4 (0.49) ITGA4ITGB1RORCLMNA
SCHEMBL5158670 0.83 ITGA4 (0.43) ITGA4ITGB1RORCLMNAALK
SCHEMBL5160599 0.82 ITGB1 (0.43) ITGA4ITGB1
SCHEMBL5160903 0.77 ITGB1 (0.50) ITGA4ITGB1
SCHEMBL5423353 0.77 ITGB1 (0.44) ITGA4ITGB1
SCHEMBL5428420 0.75 ITGA4 (0.51) ITGA4ITGB1RORCLMNA
SCHEMBL14371878 0.74 ITGA4 (0.43) ITGA4ITGB1ABL1LMNASSTR5
SCHEMBL14608783 0.74 ITGA4 (0.48) ITGA4ITGB1LMNASSTR5HCRTR1

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 9/4885RORC 486/4885

“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.