SCHEMBL5160834

SCHEMBL5160834

COc1ccc(F)cc1Nc1nc2ccc(CC(=O)COC[C@@H]3CCCN3c3ncc(CCC(=O)O)s3)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.41
ITGB1 P05556 5/20 0.40
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 3/20 0.35
MAP4K1 Q92918 1/20 0.34
GALK1 P51570 1/20 0.33
HCRTR2 O43614 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL5160623 0.95 ITGA4 (0.39) ITGA4ITGB1MEN1ALDH1A1KMT2A
SCHEMBL5162238 0.81 ITGB1 (0.51) ITGA4ITGB1
SCHEMBL5163519 0.73 ITGB1 (0.41) ITGA4ITGB1
SCHEMBL14371623 0.72 ITGA4 (0.52) ITGA4ITGB1
SCHEMBL14608581 0.71 ITGB1 (0.48) ITGA4ITGB1
SCHEMBL14371614 0.70 ITGB1 (0.57) ITGA4ITGB1
SCHEMBL14608783 0.67 ITGA4 (0.48) ITGA4ITGB1HCRTR1
SCHEMBL5158658 0.67 ITGA4 (0.41) ITGA4ITGB1HCRTR1
SCHEMBL14371774 0.67 ITGA4 (0.50) ITGA4ITGB1
SCHEMBL5175728 0.67 ITGB1 (0.39) 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 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 9/4885MEN1 711/4885

“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.