SCHEMBL3582187

SCHEMBL3582187

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.67
▸ MCL1 Q07820 6/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ PPARD Q03181 2/20 0.36
▸ BCL2 P10415 3/20 0.36
▸ MDM2 Q00987 3/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ TEAD2 Q15562 1/20 0.35
▸ TEAD3 Q99594 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL3578404 0.89 PTGES (0.53) PTGESMCHR1
SCHEMBL4089205 0.89 PTGES (0.56) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL3571641 0.89 PTGES (0.53) PTGESCYP1A2PPARD
SCHEMBL3570895 0.88 PTGES (0.83) PTGESMCL1PPARDBCL2MDM2
SCHEMBL4097026 0.87 PTGES (0.52) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL4101074 0.87 PTGES (0.54) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL4090259 0.87 PTGES (0.61) PTGESMCL1KEAP1NFE2L2CYP1A2
SCHEMBL4228522 0.85 PTGES (0.59) PTGES
SCHEMBL2997930 0.85 PTGES (0.49) PTGESPPARDPPARAPPARGFFAR4
SCHEMBL3578441 0.85 PTGES (0.47) PTGESPPARDMCHR1PPARATEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 — — US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 — — EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 — — US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 — — EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 — — 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885MCL1 1274/4885KEAP1 782/4885

“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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