SCHEMBL4101074

SCHEMBL4101074

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cnc(-c4ccc(C(F)(F)F)cn4)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.54
PTGDR Q13258 1/20 0.37
SCN9A Q15858 5/20 0.37
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
MCL1 Q07820 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
TEAD3 Q99594 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
SCHEMBL4089205 0.93 PTGES (0.56) PTGESPTGDRSCN9ACYP3A4CYP3A5
SCHEMBL3582187 0.87 PTGES (0.67) PTGESMCL1KEAP1NFE2L2PPARG
SCHEMBL4096749 0.86 PTGES (0.47) PTGESPTGDRSCN9AHTTPPARG
SCHEMBL4097026 0.83 PTGES (0.52) PTGESPTGDRSCN9ACYP3A4CYP3A5
SCHEMBL4923306 0.83 PTGES (0.52) PTGESSCN9A
SCHEMBL4090259 0.83 PTGES (0.61) PTGESCYP3A4CYP3A5MCL1KEAP1
SCHEMBL4228522 0.81 PTGES (0.59) PTGESSCN9A
SCHEMBL4268491 0.78 PTGES (0.60) PTGESMCL1KEAP1NFE2L2TEAD1
SCHEMBL3570895 0.77 PTGES (0.83) PTGESMCL1PPARGALDH1A1TEAD1
SCHEMBL4097221 0.77 PTGES (0.55) PTGESSCN9AMCL1PPARGTEAD1

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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 US disclosed
EP-1841766-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077401-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 PTGES 47/4885PTGDR 157/4885SCN9A 3473/4885

“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.