SCHEMBL5162608

SCHEMBL5162608

Cn1cc(C(=O)Nc2ccc(C(Cl)C(=O)N3C4CCCCC4C[C@H]3c3ncc(CCC(=O)O)s3)cc2Cl)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.38
ITGA4 P13612 8/20 0.38
CREBBP Q92793 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CFD P00746 1/20 0.32
AURKA O14965 1/20 0.32
KDM1A O60341 1/20 0.32
ACKR3 P25106 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
SCHEMBL5161285 0.94 ITGB1 (0.37) ITGB1ITGA4HDAC1HDAC6BCHE
SCHEMBL5163101 0.94 ITGB1 (0.39) ITGB1ITGA4CREBBPHDAC1HDAC6
SCHEMBL5161449 0.88 ITGB1 (0.39) ITGB1ITGA4HDAC1HDAC6CFD
SCHEMBL14371622 0.86 ITGB1 (0.48) ITGB1ITGA4CREBBPBCHEACHE
SCHEMBL5162597 0.86 ITGB1 (0.48) ITGB1ITGA4CREBBPBCHEACHE
SCHEMBL5163092 0.84 ITGB1 (0.50) ITGB1ITGA4CFDACKR3
SCHEMBL14371621 0.84 ITGB1 (0.50) ITGB1ITGA4CFDACKR3
SCHEMBL5161273 0.80 ITGB1 (0.48) ITGB1ITGA4CFDKDM1AACKR3
SCHEMBL14371779 0.80 ITGB1 (0.48) ITGB1ITGA4CFDKDM1AACKR3
SCHEMBL14371778 0.78 ITGB1 (0.49) ITGB1ITGA4CFDKDM1AACKR3

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 ITGB1 9/4885ITGA4 3/4885CREBBP 3270/4885

“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.