SCHEMBL4877774

SCHEMBL4877774

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
AOC3 Q16853 14/20 0.37
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4990542 0.91 AOC3 (0.34) NPC1AOC3RAB9APOLB
SCHEMBL4871391 0.90 AOC3 (0.39) AOC3
SCHEMBL4986021 0.89 AOC3 (0.34) AOC3KDM4E
SCHEMBL4990208 0.89 AOC3 (0.42) AOC3
SCHEMBL4985430 0.88 AOC3 (0.39) NPC1AOC3RAB9AKDM4EPOLB
SCHEMBL4987197 0.88 AOC3 (0.33) AOC3
SCHEMBL4986164 0.88 AOC3 (0.35) AOC3
SCHEMBL4982248 0.88 AOC3 (0.34) NPC1AOC3RAB9APOLB
SCHEMBL4990550 0.88 AOC3 (0.34) AOC3
SCHEMBL4875771 0.87 AOC3 (0.38) 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 NPC1 476/4885AOC3 782/4885RAB9A 1860/4885

“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.