SCHEMBL2429414

SCHEMBL2429414

COC(=O)[C@H]1CC[C@H](OC(F)(C(=O)Cc2ccc(Nc3nc4cc(F)ccc4s3)c(Cl)c2)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.54
ITGA4 P13612 10/20 0.54
TRPV1 Q8NER1 1/20 0.37
OPRK1 P41145 2/20 0.36
HCRTR1 O43613 1/20 0.36
RORC P51449 3/20 0.35
DHODH Q02127 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CLK1 P49759 1/20 0.35
KMT2A Q03164 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL2429415 1.00 ITGB1 (0.54) ITGB1ITGA4TRPV1OPRK1HCRTR1
SCHEMBL2432311 0.94 ITGB1 (0.54) ITGB1ITGA4TRPV1HCRTR1MEN1
SCHEMBL2432313 0.94 ITGB1 (0.54) ITGB1ITGA4TRPV1HCRTR1MEN1
SCHEMBL5362146 0.93 ITGB1 (0.62) ITGB1ITGA4TRPV1RORCDHODH
SCHEMBL5362157 0.93 ITGB1 (0.62) ITGB1ITGA4TRPV1RORCDHODH
SCHEMBL2431338 0.92 ITGB1 (0.53) ITGB1ITGA4OPRK1RORCDHODH
SCHEMBL2431340 0.92 ITGB1 (0.53) ITGB1ITGA4OPRK1RORCDHODH
SCHEMBL2432598 0.90 ITGB1 (0.54) ITGB1ITGA4TRPV1HCRTR1RORC
SCHEMBL2432600 0.90 ITGB1 (0.54) ITGB1ITGA4TRPV1HCRTR1RORC
SCHEMBL2433608 0.90 ITGB1 (0.54) ITGB1ITGA4OPRK1RORCDHODH

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 4/4885TRPV1 762/4885

“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.