SCHEMBL4874110

SCHEMBL4874110

COC(=O)Nc1ccc(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.53
XIAP P98170 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4873888 0.91 AOC3 (0.64) AOC3XIAP
SCHEMBL4867188 0.87 AOC3 (0.53) AOC3XIAPSMN1; SMN2
SCHEMBL4987891 0.86 AOC3 (0.56) AOC3
SCHEMBL4986138 0.86 AOC3 (0.65) AOC3XIAP
SCHEMBL3933638 0.86 AOC3 (0.50) AOC3
SCHEMBL4876548 0.86 AOC3 (0.51) AOC3XIAP
SCHEMBL4984593 0.86 AOC3 (0.51) AOC3XIAP
SCHEMBL3933068 0.86 AOC3 (0.67) AOC3
SCHEMBL3937291 0.84 AOC3 (0.67) AOC3SMN1; SMN2
SCHEMBL4991572 0.84 AOC3 (0.49) AOC3XIAPSMN1; SMN2

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 5 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
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (3 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 782/4885XIAP 2297/4885SMN1; SMN2 966/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885XIAP 2297/4885SMN1; SMN2 966/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885XIAP 306/4885SMN1; SMN2 1570/4885

“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.