SCHEMBL5407542

SCHEMBL5407542

O=C(O)CCc1cnc([C@@]2(F)CCCN2C(=O)Cc2cc(Cl)c(NC(=O)c3coc4ccccc34)cc2F)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.36
ITGB1 P05556 8/20 0.36
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
FFAR2 O15552 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
MAOB P27338 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ACKR3 P25106 1/20 0.30

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
SCHEMBL5160616 0.89 ITGB1 (0.36) ITGA4ITGB1HTR1ADRD2DRD4
SCHEMBL5158931 0.88 ITGA4 (0.37) ITGA4ITGB1HTR1ADRD2DRD4
SCHEMBL5160790 0.87 ITGB1 (0.50) ITGA4ITGB1TP53THRBMAOB
SCHEMBL5160549 0.84 FFAR2 (0.35) ITGA4ITGB1HTR1ADRD2DRD4
SCHEMBL5160672 0.83 PTGDR2 (0.34) ITGA4ITGB1HTR1ADRD2DRD4
SCHEMBL5160853 0.83 ITGB1 (0.36) ITGA4ITGB1HTR1ADRD2DRD4
SCHEMBL5160249 0.83 ITGB1 (0.46) ITGA4ITGB1TP53THRBMAOB
SCHEMBL5161828 0.79 ITGB1 (0.35) ITGA4ITGB1HTR1ADRD2DRD4
SCHEMBL14371647 0.79 ITGA4 (0.39) ITGA4ITGB1TP53THRB
SCHEMBL14371597 0.78 ITGA4 (0.48) ITGA4ITGB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ITGA4 3/4885ITGB1 9/4885HTR1A 2077/4885

“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.