SCHEMBL4090259

SCHEMBL4090259

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cc4)ncc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.61
▸ MCL1 Q07820 6/20 0.42
▸ TDO2 P48775 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ BCL2 P10415 3/20 0.37
▸ MDM2 Q00987 3/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 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
SCHEMBL4089205 0.91 PTGES (0.56) PTGESMCL1CYP1A2CYP3A4CYP3A5
SCHEMBL3582187 0.87 PTGES (0.67) PTGESMCL1CYP1A2PPARDPIM3
SCHEMBL3570895 0.85 PTGES (0.83) PTGESMCL1PPARDBCL2MDM2
SCHEMBL4268491 0.84 PTGES (0.60) PTGESMCL1PPARDPIM3BCL2
SCHEMBL4101074 0.83 PTGES (0.54) PTGESMCL1CYP1A2CYP3A4CYP3A5
SCHEMBL4097221 0.82 PTGES (0.55) PTGESMCL1PPARDBCL2MDM2
SCHEMBL4100038 0.82 PTGES (0.60) PTGESMCL1PPARDCYP3A4CYP3A5
SCHEMBL4096505 0.81 PTGES (0.44) PTGESMCL1CYP1A2PTPN11BCL2
Water SCHEMBL4923346 0.81 PTGES (0.66) PTGESMCL1PPARDBCL2MDM2
Water SCHEMBL4923358 0.81 PTGES (0.66) PTGESMCL1PPARDBCL2MDM2

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 47/4885MCL1 1709/4885TDO2 840/4885

“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.

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