SCHEMBL4864901

SCHEMBL4864901

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(C(=O)N2CCN(C(C)=O)CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.36
ITK Q08881 4/20 0.34
OGA O60502 2/20 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
SCHEMBL4991705 0.93 AOC3 (0.36) AOC3OGA
SCHEMBL4986002 0.91 AOC3 (0.36) AOC3
SCHEMBL4876600 0.91 MAPK14 (0.36) AOC3OGA
SCHEMBL4988772 0.89 AOC3 (0.37) AOC3
SCHEMBL4986320 0.88 OGA (0.35) AOC3OGA
SCHEMBL4988481 0.88 AOC3 (0.34) AOC3OGA
SCHEMBL5999926 0.88 AOC3 (0.40) AOC3OGA
SCHEMBL4875442 0.85 AOC3 (0.39) AOC3
SCHEMBL4871385 0.85 AOC3 (0.41) AOC3
SCHEMBL4985427 0.84 AOC3 (0.41) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885ITK 2170/4885OGA 3571/4885

“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.