SCHEMBL4685235

SCHEMBL4685235

COc1ccc(NC2=C(c3ccccc3)C(=O)N(CC(F)(F)F)C2=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.63
NR1H3 Q13133 9/20 0.63
TP53 P04637 1/20 0.46
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GSK3B P49841 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4684728 0.91 NR1H2 (0.53) NR1H2NR1H3TP53MAPTMEN1
SCHEMBL4688172 0.90 NR1H2 (0.74) NR1H2NR1H3TP53MAPTMEN1
SCHEMBL4684921 0.86 NR1H2 (0.80) NR1H2NR1H3TP53MAPTMEN1
SCHEMBL4684030 0.84 NR1H2 (0.80) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL4684805 0.83 NR1H2 (0.64) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL4684751 0.82 NR1H2 (0.66) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL4691628 0.81 NR1H2 (0.71) NR1H2NR1H3TP53MAPTMEN1
SCHEMBL4688916 0.80 NR1H2 (0.78) NR1H2NR1H3TP53MAPTMEN1
SCHEMBL4685240 0.80 NR1H2 (0.69) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL4688262 0.79 NR1H2 (0.67) NR1H2NR1H3TP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US claimed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP claimed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO claimed
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO 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-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885TP53 4470/4885

“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.