SCHEMBL4689739

SCHEMBL4689739

O=C1C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccccc2)C(=O)N1CC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.57
NR1H3 Q13133 9/20 0.57
PLK1 P53350 1/20 0.43
CHRM5 P08912 3/20 0.39
FPR2 P25090 1/20 0.38
DHODH Q02127 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EPHX2 P34913 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 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
SCHEMBL4688172 0.88 NR1H2 (0.74) NR1H2NR1H3HPGDMAPTSMN1; SMN2
SCHEMBL5745684 0.82 NR1H2 (0.58) NR1H2NR1H3CHRM5MAPTSMN1; SMN2
SCHEMBL4692995 0.80 NR1H2 (0.60) NR1H2NR1H3PLK1CHRM5NPC1
SCHEMBL4685235 0.78 NR1H2 (0.63) NR1H2NR1H3HPGDMAPTSMN1; SMN2
SCHEMBL5746701 0.78 NR1H2 (0.53) NR1H2NR1H3CHRM5MAPTSMN1; SMN2
SCHEMBL4691628 0.77 NR1H2 (0.71) NR1H2NR1H3HPGDMAPTSMN1; SMN2
SCHEMBL2832798 0.74 GSK3B (0.66) PLK1
SCHEMBL4685907 0.73 NR1H2 (1.00) NR1H2NR1H3HPGDMAPTSMN1; SMN2
SCHEMBL4450601 0.71 NR1H2 (1.00) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4684728 0.71 NR1H2 (0.53) NR1H2NR1H3HPGDMAPTSMN1; 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 7 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
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005417-A1 PYRROLE-2, 5-DIONE 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-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 NR1H2 1/4885NR1H3 2/4885PLK1 3201/4885

“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.