SCHEMBL333774

SCHEMBL333774

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.46
PPARA Q07869 9/20 0.46
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 1/20 0.43
PPARD Q03181 2/20 0.40
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G4A P47712 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 0.92 PPARG (0.47) PPARGPPARAMEN1KMT2APLA2G4A
SCHEMBL334429 0.91 PPARA (0.45) PPARGPPARAAKR1C3AKR1C2PPARD
SCHEMBL333222 0.91 PPARG (0.47) PPARGPPARAAKR1C3AKR1C2PPARD
SCHEMBL334428 0.90 AKR1C3 (0.50) PPARGPPARAAKR1C3AKR1C2PPARD
SCHEMBL333682 0.90 PTGDR2 (0.46) PPARGPPARAAKR1C3AKR1C2PPARD
SCHEMBL333611 0.90 PPARG (0.47) PPARGPPARAAKR1C3AKR1C2MEN1
SCHEMBL333656 0.89 PPARG (0.43) PPARGPPARAMEN1KMT2APLA2G4A
SCHEMBL333427 0.88 SCN9A (0.42) PPARGPPARASCN9A
SCHEMBL334110 0.88 MEN1 (0.44) PPARGPPARAAKR1C3AKR1C2PPARD
SCHEMBL334171 0.88 PPARG (0.47) PPARGPPARAAKR1C3AKR1C2PPARD

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.