SCHEMBL2433608

SCHEMBL2433608

COC(=O)C1CCC(OC(F)(C(=O)Cc2ccc(Nc3nc4ccc(C)cc4s3)c(Cl)c2)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.54
ITGA4 P13612 6/20 0.54
CSNK1D P48730 4/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RIPK1 Q13546 2/20 0.37
RIPK3 Q9Y572 2/20 0.37
OPRK1 P41145 1/20 0.37
RORC P51449 2/20 0.37
DHODH Q02127 2/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2433605 1.00 ITGB1 (0.54) ITGB1ITGA4CSNK1DGAAL3MBTL1
SCHEMBL2430928 0.94 ITGB1 (0.53) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2430927 0.94 ITGB1 (0.53) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2432311 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DGAARIPK1
SCHEMBL2432313 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DGAARIPK1
SCHEMBL2434646 0.94 ITGB1 (0.62) ITGB1ITGA4CSNK1DL3MBTL1RIPK1
SCHEMBL2434649 0.94 ITGB1 (0.62) ITGB1ITGA4CSNK1DL3MBTL1RIPK1
SCHEMBL2431338 0.92 ITGB1 (0.53) ITGB1ITGA4OPRK1RORCDHODH
SCHEMBL2431340 0.92 ITGB1 (0.53) ITGB1ITGA4OPRK1RORCDHODH
SCHEMBL2429414 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 4/4885CSNK1D 1461/4885

“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.