SCHEMBL334171

SCHEMBL334171

CC(C)c1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.47
PPARA Q07869 7/20 0.44
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP14 P54578 1/20 0.39
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
SCHEMBL333818 0.92 PPARG (0.52) PPARGPPARAAKR1C3AKR1C2
SCHEMBL334349 0.91 PPARG (0.44) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL334428 0.90 AKR1C3 (0.50) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL333682 0.90 PTGDR2 (0.46) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL27717651 0.89 PPARG (0.39) PPARGPPARAAKR1C3AKR1C2
SCHEMBL334429 0.89 PPARA (0.45) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL333959 0.89 USP14 (0.49) PPARGAKR1C3AKR1C2MEN1KMT2A
SCHEMBL333222 0.88 PPARG (0.47) PPARGPPARAAKR1C3AKR1C2USP14
SCHEMBL333774 0.88 PPARG (0.46) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL334235 0.88 BCL2 (0.42) MEN1KMT2AUSP14

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 3590/4885AKR1C3 538/4885

“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.