SCHEMBL5160840

SCHEMBL5160840

Cn1cc(C(=O)Nc2cc(Cl)c(CC(=O)N3CCC[C@H]3c3ncc(CCC(=O)O)s3)cc2Cl)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.52
ITGA4 P13612 9/20 0.52
AADAT Q8N5Z0 1/20 0.36
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
S1PR2 O95136 1/20 0.34
HSD11B1 P28845 1/20 0.34
ACKR3 P25106 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
SCHEMBL5158921 0.94 ITGA4 (0.60) ITGB1ITGA4AADATKDM1AMEN1
SCHEMBL5162183 0.94 ITGB1 (0.51) ITGB1ITGA4AADATKDM1AMEN1
SCHEMBL14371592 0.88 ITGA4 (0.59) ITGB1ITGA4
SCHEMBL14371608 0.88 ITGA4 (0.49) ITGB1ITGA4KDM1AMEN1KMT2A
SCHEMBL14400277 0.88 ITGA4 (0.49) ITGB1ITGA4KDM1AMEN1KMT2A
SCHEMBL14371604 0.88 ITGA4 (0.53) ITGB1ITGA4KDM1AMEN1KMT2A
SCHEMBL5162045 0.88 ITGB1 (0.44) ITGB1ITGA4KDM1AMEN1KMT2A
SCHEMBL14371719 0.88 ITGA4 (0.60) ITGB1ITGA4KDM1AS1PR2
SCHEMBL14400278 0.88 ITGA4 (0.60) ITGB1ITGA4KDM1AS1PR2
SCHEMBL14371580 0.88 ITGA4 (0.60) ITGB1ITGA4KDM1AS1PR2

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 4 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
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
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 3/4885AADAT 2105/4885

“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.