SCHEMBL334935

SCHEMBL334935

CCOC(=O)Cc1c(C(=O)O)c2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.45
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL333746 0.94 SCN9A (0.45) SCN9APPARGPPARAMAPK1
SCHEMBL333764 0.91 PPARG (0.42) SCN9APPARGPPARA
SCHEMBL334190 0.89 SCN9A (0.45) SCN9APPARGPPARAMEN1KMT2A
SCHEMBL333605 0.85 SCN9A (0.45) SCN9APPARGPPARAMEN1KMT2A
SCHEMBL333775 0.85 PPARG (0.48) SCN9APPARGPPARA
SCHEMBL1414459 0.85 LMNA (0.46) SCN9APPARGPPARA
SCHEMBL333812 0.83 ALOX5 (0.43) PPARGPPARAMEN1KMT2A
SCHEMBL335032 0.82 TP53 (0.41) MEN1KMT2A
SCHEMBL333600 0.82 LMNA (0.48) SCN9APPARGPPARA
SCHEMBL5510004 0.81 PPARG (0.46) PPARGPPARAMEN1KMT2A

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 2 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
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 SCN9A 3896/4885PPARG 2451/4885PPARA 3590/4885

“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.