SCHEMBL2432933

SCHEMBL2432933

COC(=O)[C@H]1CC[C@H](OC[C@@H]2CCCN2S(=O)(=O)CC(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.70
ITGA4 P13612 16/20 0.70
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
HTR4 Q13639 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2432914 0.94 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL2432788 0.89 ITGB1 (0.71) ITGB1ITGA4KDM1AMEN1ALDH1A1
SCHEMBL2430237 0.89 ITGB1 (0.71) ITGB1ITGA4KDM1AMEN1ALDH1A1
SCHEMBL2429857 0.89 ITGB1 (0.72) ITGB1ITGA4KDM1AMEN1ALDH1A1
SCHEMBL2434920 0.88 ITGA4 (0.89) ITGB1ITGA4KDM1A
SCHEMBL2431995 0.88 ITGA4 (0.89) ITGB1ITGA4KDM1A
SCHEMBL2435920 0.88 ITGA4 (0.89) ITGB1ITGA4KDM1A
SCHEMBL2429475 0.88 ITGB1 (0.54) ITGB1ITGA4KDM1A
SCHEMBL2430155 0.88 ITGB1 (0.70) ITGB1ITGA4KDM1AMEN1ALDH1A1
SCHEMBL2432856 0.84 ITGB1 (0.80) ITGB1ITGA4

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885KDM1A 816/4885

“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.