SCHEMBL5163097

SCHEMBL5163097

Cn1cc(C(=O)Nc2cc(F)c(CC(=O)N3CC(c4ncc(CCC(=O)O)s4)C4CCCCC43)cc2Cl)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.53
ITGB1 P05556 14/20 0.53
KDM1A O60341 1/20 0.33
ACKR3 P25106 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL5162600 0.94 ITGA4 (0.52) ITGA4ITGB1KDM1AACKR3MEN1
SCHEMBL5161442 0.94 ITGA4 (0.53) ITGA4ITGB1KDM1AACKR3
SCHEMBL5161277 0.89 ITGA4 (0.52) ITGA4ITGB1KDM1AACKR3MEN1
SCHEMBL5158599 0.88 ITGA4 (0.41) ITGA4ITGB1
SCHEMBL5158921 0.88 ITGA4 (0.60) ITGA4ITGB1KDM1AACKR3MEN1
SCHEMBL14371603 0.86 ITGA4 (0.54) ITGA4ITGB1KDM1A
SCHEMBL14371581 0.86 ITGA4 (0.61) ITGA4ITGB1KDM1A
SCHEMBL14400256 0.86 ITGA4 (0.60) ITGA4ITGB1
SCHEMBL14371590 0.86 ITGA4 (0.60) ITGA4ITGB1
SCHEMBL14371621 0.85 ITGB1 (0.50) ITGA4ITGB1ACKR3MEN1KMT2A

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 9/4885KDM1A 1794/4885

“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.