SCHEMBL4097026

SCHEMBL4097026

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cn4)cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.52
PTPN11 Q06124 2/20 0.39
MCL1 Q07820 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.35
PPARD Q03181 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
PTGDR Q13258 1/20 0.35
SCN9A Q15858 1/20 0.34
MCHR1 Q99705 1/20 0.34
BCL2 P10415 2/20 0.34
MDM2 Q00987 2/20 0.34
DGAT1 O75907 1/20 0.34
PPARA Q07869 1/20 0.34
PTPN5 P54829 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
SCHEMBL4100038 0.90 PTGES (0.60) PTGESPTPN11MCL1PPARDCYP3A4
SCHEMBL3582187 0.87 PTGES (0.67) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL4101074 0.83 PTGES (0.54) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL4089205 0.83 PTGES (0.56) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL4095194 0.81 PTPN11 (0.41) PTGESPTPN11MCL1CYP3A4CYP3A5
SCHEMBL4090259 0.80 PTGES (0.61) PTGESPTPN11MCL1KEAP1NFE2L2
SCHEMBL4104398 0.78 PPARG (0.41) PTGESPTPN11PPARDPPARA
SCHEMBL4096749 0.77 PTGES (0.47) PTGESPTPN11PTGDRSCN9APPARA
SCHEMBL3578404 0.77 PTGES (0.53) PTGESSCN9AMCHR1DGAT1
SCHEMBL3571641 0.77 PTGES (0.53) PTGESCYP1A2PPARDSCN9A

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 1 patent. 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

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 47/4885PTPN11 1154/4885MCL1 1709/4885

“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.