SCHEMBL2432600

SCHEMBL2432600

COC(=O)C1CCC(OC(F)(C(=O)Cc2cc(Cl)c(Nc3nc4cc(F)ccc4s3)cc2F)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.54
ITGA4 P13612 7/20 0.54
DHODH Q02127 5/20 0.37
RORC P51449 4/20 0.37
HCRTR1 O43613 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
DYRK1A Q13627 1/20 0.34
RIPK1 Q13546 2/20 0.33
RIPK3 Q9Y572 2/20 0.33
ACHE P22303 1/20 0.33
LCK P06239 1/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL2432598 1.00 ITGB1 (0.54) ITGB1ITGA4DHODHRORCHCRTR1
SCHEMBL2437130 0.93 ITGB1 (0.62) ITGB1ITGA4DHODHRORCTRPV1
SCHEMBL2437128 0.93 ITGB1 (0.62) ITGB1ITGA4DHODHRORCTRPV1
SCHEMBL2437765 0.93 ITGB1 (0.54) ITGB1ITGA4DHODHRORCRIPK1
SCHEMBL2437763 0.93 ITGB1 (0.54) ITGB1ITGA4DHODHRORCRIPK1
SCHEMBL2429414 0.90 ITGB1 (0.54) ITGB1ITGA4DHODHRORCHCRTR1
SCHEMBL2429415 0.90 ITGB1 (0.54) ITGB1ITGA4DHODHRORCHCRTR1
SCHEMBL2434612 0.85 ITGB1 (0.62) ITGB1ITGA4DHODHRORC
SCHEMBL2434614 0.85 ITGB1 (0.62) ITGB1ITGA4DHODHRORC
SCHEMBL2432313 0.84 ITGB1 (0.54) ITGB1ITGA4HCRTR1TRPV1RIPK1

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 4/4885DHODH 4281/4885

“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.