SCHEMBL4863646

SCHEMBL4863646

CSc1ccc(CNC(=O)c2sc(NC(C)=O)nc2CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 9/20 0.47
CHRM4 P08173 2/20 0.42
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SCD O00767 1/20 0.38
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARA Q07869 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
SCHEMBL4982462 0.91 SCD (0.46) AOC3CHRM4SCDRXFP1LMNA
SCHEMBL4875577 0.88 PPARA (0.44) AOC3CHRM4SCDPPARA
SCHEMBL4874736 0.86 PPARA (0.46) AOC3SCDMAPTLMNARAB9A
SCHEMBL4875622 0.86 AOC3 (0.40) AOC3PPARA
SCHEMBL4988337 0.85 AOC3 (0.50) AOC3CHRM4EPHX2NR1H4SCD
SCHEMBL4875643 0.83 AOC3 (0.39) AOC3RXFP1LMNA
SCHEMBL27633662 0.82 AOC3 (0.46) AOC3CHRM4EPHX2NR1H4MAPT
SCHEMBL6463171 0.82 AOC3 (0.44) AOC3MAPTRXFP1LMNANPC1
SCHEMBL4875983 0.82 AOC3 (0.38) AOC3NPC1
SCHEMBL27633664 0.81 AOC3 (0.46) AOC3CHRM4EPHX2NR1H4SCD

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 782/4885CHRM4 2289/4885EPHX2 4171/4885

“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.