SCHEMBL334349

SCHEMBL334349

CC(C)Oc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.44
PPARA Q07869 7/20 0.44
PTGES O14684 3/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL333817 0.92 PPARG (0.52) PPARGPPARAPTGESAKR1C3AKR1C2
SCHEMBL334350 0.92 PTGES (0.52) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL361319 0.91 PPARG (0.42) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL504356 0.91 PPARG (0.42) PPARGPPARAPTGESMEN1KMT2A
SCHEMBL334171 0.91 PPARG (0.47) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL335343 0.90 THRB (0.44) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL503635 0.90 PPARG (0.39) PPARGPPARAPTGESAKR1C3AKR1C2
SCHEMBL334428 0.90 AKR1C3 (0.50) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL333764 0.89 PPARG (0.42) PPARGPPARAPTGES
SCHEMBL334429 0.89 PPARA (0.45) PPARGPPARAAKR1C3AKR1C2MEN1

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 3590/4885PTGES 34/4885

“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.