SCHEMBL4688674

SCHEMBL4688674

COCCN1C(=O)C(Nc2ccc(SC)cc2)=C(c2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.56
NR1H3 Q13133 9/20 0.56
GSK3B P49841 8/20 0.51
STK10 O94804 3/20 0.42
SLK Q9H2G2 3/20 0.42
PTGS2 P35354 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL5737209 0.92 PTGS2 (0.49) NR1H2NR1H3GSK3BPTGS2MAPT
SCHEMBL4687894 0.86 NR1H2 (0.76) NR1H2NR1H3GSK3BMAPTSMN1; SMN2
SCHEMBL4689718 0.83 NR1H2 (0.55) NR1H2NR1H3GSK3BMAPT
SCHEMBL4688571 0.81 NR1H2 (0.58) NR1H2NR1H3GSK3BMAPTSMN1; SMN2
SCHEMBL5790936 0.80 NR1H2 (0.67) NR1H2NR1H3GSK3BMAPTSMN1; SMN2
SCHEMBL4689410 0.79 NR1H2 (0.51) NR1H2NR1H3STK10SLKMAPT
SCHEMBL4689452 0.79 NR1H2 (0.72) NR1H2NR1H3GSK3BMAPTSMN1; SMN2
SCHEMBL4820919 0.78 NR1H2 (0.64) NR1H2NR1H3GSK3BMAPTSMN1; SMN2
SCHEMBL5746128 0.78 NR1H2 (0.51) NR1H2NR1H3GSK3BMAPTSMN1; SMN2
SCHEMBL4688716 0.77 NR1H2 (0.72) NR1H2NR1H3GSK3BMAPTSMN1; 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
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US claimed
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 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-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 NR1H2 1/4885NR1H3 2/4885GSK3B 909/4885

“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.