SCHEMBL5164370

SCHEMBL5164370

O=C(O)CCc1cnc([C@@H]2CCCN2C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.37
ITGB1 P05556 5/20 0.37
ITGA4 P13612 5/20 0.37
AADAT Q8N5Z0 1/20 0.37
PKM P14618 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL5160614 0.94 ITGA4 (0.44) UTS2RITGB1ITGA4AADATPKM
SCHEMBL14371684 0.89 ITGB1 (0.37) UTS2RITGB1ITGA4PTGDR2IRAK4
SCHEMBL14371589 0.88 ITGA4 (0.43) ITGB1ITGA4
SCHEMBL14608580 0.88 ITGA4 (0.37) ITGB1ITGA4AADATTRPV1PTGDR2
SCHEMBL5424270 0.88 ALDH1A1 (0.32) ITGB1ITGA4PTGDR2IRAK4
SCHEMBL14608620 0.87 ITGA4 (0.38) ITGB1ITGA4PTGDR2
SCHEMBL14371579 0.87 ITGA4 (0.45) ITGB1ITGA4PTGDR2
SCHEMBL5160840 0.87 ITGB1 (0.52) ITGB1ITGA4AADATTRPV1
SCHEMBL14371656 0.85 ITGA4 (0.39) ITGB1ITGA4PTGDR2
SCHEMBL14371646 0.84 ITGA4 (0.35) ITGB1ITGA4

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
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 UTS2R 3066/4885ITGB1 9/4885ITGA4 3/4885

“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.