SCHEMBL333656

SCHEMBL333656

O=C(O)Cc1c(C(=O)O)c2cc(Oc3cccc(OC(F)(F)F)c3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.43
PPARA Q07869 6/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
USP14 P54578 1/20 0.39
ELANE P08246 1/20 0.39
PLA2G4A P47712 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL10076916 0.95 PPARG (0.47) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL333845 0.92 PPARG (0.42) PPARGPPARAKDM4ETHRBTHRA
SCHEMBL360369 0.92 PPARG (0.47) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL4171314 0.91 PPARG (0.42) PPARGKDM4ETHRBTHRAUSP14
SCHEMBL333774 0.89 PPARG (0.46) PPARGPPARAMEN1KMT2APLA2G4A
SCHEMBL333611 0.89 PPARG (0.47) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL1407175 0.88 PPARG (0.39) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL333879 0.88 PPARG (0.41) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL503870 0.88 MRGPRX4 (0.47) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL504356 0.87 PPARG (0.42) PPARGPPARAKDM4EMEN1KMT2A

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 3590/4885KDM4E 1104/4885

“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.