SCHEMBL333764

SCHEMBL333764

CC(C)Oc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
SCN9A Q15858 15/20 0.42
LMNA P02545 1/20 0.40
PTGES O14684 1/20 0.39

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
SCHEMBL1414459 0.93 LMNA (0.46) PPARGPPARASCN9ALMNA
SCHEMBL334935 0.91 SCN9A (0.45) PPARGPPARASCN9A
SCHEMBL334190 0.91 SCN9A (0.45) PPARGPPARASCN9ALMNA
SCHEMBL333427 0.89 SCN9A (0.42) PPARGPPARASCN9ALMNA
SCHEMBL334349 0.89 PPARG (0.44) PPARGPPARAPTGES
SCHEMBL333775 0.88 PPARG (0.48) PPARGPPARASCN9ALMNA
SCHEMBL333748 0.87 PTGES (0.42) PPARGPPARAPTGES
SCHEMBL1407633 0.86 ACACB (0.38) PTGES
SCHEMBL333600 0.85 LMNA (0.48) PPARGPPARASCN9ALMNAPTGES
SCHEMBL333746 0.85 SCN9A (0.45) PPARGPPARASCN9ALMNA

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-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PPARG 2451/4885PPARA 3590/4885SCN9A 3896/4885

“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.