SCHEMBL2432310

SCHEMBL2432310

O=C(Nc1cc(F)c(CC(=O)C(F)(O[C@H]2CC[C@H](C(=O)O)CC2)N2CCCC2)cc1Cl)c1n[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.62
ITGA4 P13612 13/20 0.62
EPHB3 P54753 1/20 0.43
CSNK2A1 P68400 1/20 0.41
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ACKR3 P25106 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAC1 P63000 1/20 0.37

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
SCHEMBL2432892 0.93 ITGB1 (0.54) ITGB1ITGA4EPHB3CSNK2A1CDK5
SCHEMBL2435437 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL2433785 0.88 ITGA4 (0.63) ITGB1ITGA4ACKR3CCR3
SCHEMBL2433789 0.88 ITGA4 (0.63) ITGB1ITGA4ACKR3CCR3
SCHEMBL2432568 0.86 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL2432570 0.86 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL2433497 0.84 ITGA4 (0.48) ITGB1ITGA4
SCHEMBL2431932 0.84 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL2433500 0.84 ITGA4 (0.48) ITGB1ITGA4
SCHEMBL2433484 0.83 ITGB1 (0.68) ITGB1ITGA4ACKR3

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 4/4885EPHB3 3124/4885

“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.