SCHEMBL333503

SCHEMBL333503

O=C(O)c1c(P(=O)(O)O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.41
PPARA Q07869 6/20 0.41
TEAD1 P28347 1/20 0.38
TEAD4 Q15561 1/20 0.38
TEAD2 Q15562 1/20 0.38
TEAD3 Q99594 1/20 0.38
EPHX2 P34913 1/20 0.38
FDPS P14324 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL334044 0.87 PPARG (0.43) PPARGPPARATEAD1EPHX2
SCHEMBL1407025 0.83 PPARG (0.41) PPARGPPARATEAD1EPHX2
SCHEMBL333848 0.83 PPARG (0.40) PPARGPPARA
SCHEMBL3011927 0.81 PPARG (0.39) PPARGPPARATEAD1EPHX2
Hydrochloric Acid SCHEMBL3001723 0.81 PPARG (0.39) PPARGPPARAEPHX2
Ammonia Solution, Strong SCHEMBL3001720 0.81 PPARG (0.39) PPARGPPARA
SCHEMBL3003319 0.80 PPARG (0.38) PPARGPPARA
SCHEMBL3012777 0.80 P2RY14 (0.41) PPARGPPARA
SCHEMBL334231 0.80 PPARG (0.41) PPARGPPARAEPHX2
SCHEMBL3576199 0.78 PPARG (0.40) PPARGPPARA

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 5 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
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO 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 3590/4885TEAD1 1337/4885

“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.