SCHEMBL18884239

SCHEMBL18884239

CC(C)C1SC(=O)N(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 4/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 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
SCHEMBL19261447 0.76
SCHEMBL24699515 0.70
SCHEMBL7459354 0.69
SCHEMBL23346814 0.67
SCHEMBL10686440 0.67
Hydrochloric Acid SCHEMBL22342374 0.65 ALDH1A1 (0.39) ALDH1A1NPSR1TDP1GAAPOLB
SCHEMBL20374229 0.64 ALDH1A1 (0.38) ALDH1A1NPSR1TDP1GAAPOLB
SCHEMBL20669715 0.62 TSHR (0.46) TSHR
SCHEMBL22380663 0.60 TSHR (0.64) ALDH1A1NPSR1GAAMAPTKDM4E
SCHEMBL99049 0.60 TSHR (0.64) ALDH1A1NPSR1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822377-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-11-03 US disclosed
US-20200031872-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2020-01-30 US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 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-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 ALDH1A1 4346/4885NPSR1 4518/4885TDP1 904/4885
US-10822377-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase CLPP, DNPEP, PEPD ALDH1A1 4416/4885NPSR1 2107/4885TDP1 1464/4885
US-20200031872-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase CLPP, DNPEP, PEPD ALDH1A1 4416/4885NPSR1 2107/4885TDP1 1464/4885

“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.