SCHEMBL2430244

SCHEMBL2430244

O=C(Cc1ccc(Nc2nc3ccc(F)cc3s2)c(Cl)c1)C(F)(O[C@H]1CC[C@H](C(=O)O)CC1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.62
ITGA4 P13612 12/20 0.62
DGAT1 O75907 1/20 0.41
HCRTR1 O43613 3/20 0.39
CSNK1D P48730 1/20 0.39
HCRTR2 O43614 1/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CLK1 P49759 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2430247 1.00 ITGB1 (0.62) ITGB1ITGA4DGAT1HCRTR1CSNK1D
SCHEMBL5362157 0.94 ITGB1 (0.62) ITGB1ITGA4DGAT1RIPK1RIPK3
SCHEMBL5362146 0.94 ITGB1 (0.62) ITGB1ITGA4DGAT1RIPK1RIPK3
SCHEMBL2437593 0.94 ITGB1 (0.61) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2437591 0.94 ITGB1 (0.61) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2432311 0.93 ITGB1 (0.54) ITGB1ITGA4DGAT1HCRTR1CSNK1D
SCHEMBL2432313 0.93 ITGB1 (0.54) ITGB1ITGA4DGAT1HCRTR1CSNK1D
SCHEMBL2434649 0.93 ITGB1 (0.62) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2434646 0.93 ITGB1 (0.62) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2429216 0.91 ITGB1 (0.61) 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 4/4885DGAT1 1075/4885

“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.