SCHEMBL2436020

SCHEMBL2436020

COC(=O)C1CCC(OC(F)(C(=O)Cc2ccc(NC(=O)c3nccc4ccccc34)c(Cl)c2)N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.54
ITGA4 P13612 6/20 0.54
CCR3 P51677 3/20 0.39
ACKR3 P25106 1/20 0.38
OPRK1 P41145 2/20 0.37
MALT1 Q9UDY8 1/20 0.35
HCRTR1 O43613 1/20 0.35
ABCB1 P08183 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ERBB2 P04626 2/20 0.34
ALK Q9UM73 1/20 0.33

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
SCHEMBL2436019 1.00 ITGB1 (0.54) ITGB1ITGA4CCR3ACKR3OPRK1
SCHEMBL2430260 0.93 ITGB1 (0.62) ITGB1ITGA4CCR3ACKR3
SCHEMBL2430259 0.93 ITGB1 (0.62) ITGB1ITGA4CCR3ACKR3
SCHEMBL2436167 0.93 ITGB1 (0.47) ITGB1ITGA4CCR3OPRK1ERBB2
SCHEMBL2436163 0.93 ITGB1 (0.47) ITGB1ITGA4CCR3OPRK1ERBB2
SCHEMBL2433742 0.92 ITGB1 (0.48) ITGB1ITGA4CCR3ACKR3HCRTR1
SCHEMBL2433739 0.92 ITGB1 (0.48) ITGB1ITGA4CCR3ACKR3HCRTR1
SCHEMBL2432030 0.89 ITGB1 (0.55) ITGB1ITGA4CCR3ACKR3MALT1
SCHEMBL2432033 0.89 ITGB1 (0.55) ITGB1ITGA4CCR3ACKR3MALT1
SCHEMBL2433151 0.87 KDM1A (0.42) ITGB1ITGA4OPRK1CHRNB2CHRNA4

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 4/4885CCR3 324/4885

“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.