SCHEMBL5162183

SCHEMBL5162183

COC(=O)CCc1cnc([C@@H]2CCCN2C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.51
ITGA4 P13612 9/20 0.51
KDM1A O60341 1/20 0.36
S1PR2 O95136 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AADAT Q8N5Z0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL5160840 0.94 ITGB1 (0.52) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL5162870 0.89 ITGB1 (0.44) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL14371718 0.89 ITGA4 (0.58) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL14371700 0.89 ITGA4 (0.58) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL14371742 0.89 ITGA4 (0.52) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL14371708 0.89 ITGA4 (0.58) ITGB1ITGA4S1PR2
SCHEMBL14371750 0.88 ITGA4 (0.49) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL5158921 0.88 ITGA4 (0.60) ITGB1ITGA4KDM1AMEN1KMT2A
SCHEMBL5161273 0.88 ITGB1 (0.48) ITGB1ITGA4KDM1AS1PR2MEN1
SCHEMBL5161277 0.88 ITGA4 (0.52) ITGB1ITGA4KDM1AS1PR2MEN1

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 5 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
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 3/4885KDM1A 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.