SCHEMBL4866140

SCHEMBL4866140

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(Cc2ccc([S+](C)[O-])cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.46
RORC P51449 1/20 0.31
XIAP P98170 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
SCHEMBL4988932 0.91 AOC3 (0.56) AOC3RORCXIAP
SCHEMBL4873931 0.89 AOC3 (0.50) AOC3RORC
SCHEMBL4875902 0.89 AOC3 (0.58) AOC3RORC
SCHEMBL5496093 0.89 AOC3 (0.59) AOC3
SCHEMBL5551608 0.88 AOC3 (0.60) AOC3RORC
SCHEMBL4982481 0.88 AOC3 (0.48) AOC3
SCHEMBL4991579 0.88 AOC3 (0.48) AOC3XIAP
SCHEMBL5496066 0.86 AOC3 (0.44) AOC3
SCHEMBL4871878 0.85 AOC3 (0.42) AOC3
SCHEMBL4987469 0.84 AOC3 (0.57) AOC3RORC

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 782/4885RORC 2850/4885XIAP 2297/4885

“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.