SCHEMBL6399900

SCHEMBL6399900

C=CCSc1cccc2c1C(=O)NC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ CASP3 P42574 4/20 0.34
▸ CASP2 P42575 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CASP8 Q14790 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ FGFR1 P11362 2/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5074783 0.79 GSK3B (0.50) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL30609814 0.79 KDM4E (0.45) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL11604127 0.79 GSK3B (0.39) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL10335607 0.79 ALDH1A1 (0.42) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL21111964 0.79 KDM4E (0.44) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL2359302 0.79 GSK3B (0.42) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL11588296 0.77 SOAT1 (0.42) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL30091416 0.76 GSK3B (0.50) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL7078965 0.76 GSK3B (0.50) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL28236805 0.75 MAOA (0.54) GSK3BALDH1A1KDM4EGAAHPGD

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-6946458-B2 N-thiolated beta-lactams: novel antibacterial agents for methicillin-resistant Staphylococcus aureus UNIVERSITY OF SOUTH FLORIDA (US) 2005-09-20 — — US disclosed
US-20030191108-A1 N-thiolated beta-lactams: novel antibacterial agents for methicillin-resistant staphylococcus aureus SOUTH FLORIDA, UNIVERSITY OF 2003-10-09 — — US disclosed
US-4427439-A Composition for plant growth regulation GAF CORPORATION (US) 1984-01-24 — — 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-20030191108-A1 N-thiolated beta-lactams: novel antibacterial agents for methicillin-resistant staphylococcus aureus AAAS, TST, NRDC GSK3B 1177/4885ALDH1A1 2378/4885KDM4E 3783/4885

“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.

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