SCHEMBL2432313

SCHEMBL2432313

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.54
ITGA4 P13612 8/20 0.54
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CLK1 P49759 1/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
NR2F2 P24468 1/20 0.38
MCL1 Q07820 1/20 0.38
KLF5 Q13887 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HCRTR1 O43613 5/20 0.38
NPC1 O15118 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
SCHEMBL2432311 1.00 ITGB1 (0.54) ITGB1ITGA4MEN1HTTKMT2A
SCHEMBL2429415 0.94 ITGB1 (0.54) ITGB1ITGA4MEN1HTTKMT2A
SCHEMBL2429414 0.94 ITGB1 (0.54) ITGB1ITGA4MEN1HTTKMT2A
SCHEMBL2433605 0.94 ITGB1 (0.54) ITGB1ITGA4HTTGAASMN1; SMN2
SCHEMBL2433608 0.94 ITGB1 (0.54) ITGB1ITGA4HTTGAASMN1; SMN2
SCHEMBL2430928 0.94 ITGB1 (0.53) ITGB1ITGA4ALDH1A1CLK1SMN1; SMN2
SCHEMBL2430927 0.94 ITGB1 (0.53) ITGB1ITGA4ALDH1A1CLK1SMN1; SMN2
SCHEMBL2430244 0.93 ITGB1 (0.62) ITGB1ITGA4MEN1HTTKMT2A
SCHEMBL2430247 0.93 ITGB1 (0.62) ITGB1ITGA4MEN1HTTKMT2A
SCHEMBL2431340 0.92 ITGB1 (0.53) ITGB1ITGA4ALDH1A1MAPTLMNA

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 4/4885MEN1 1582/4885

“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.