SCHEMBL334190

SCHEMBL334190

CCOC(=O)c1c(CC(=O)O)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.45
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39

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) SCN9ATHRBSMN1; SMN2TP53MAPT
SCHEMBL1414459 0.92 LMNA (0.46) SCN9AMAPTPPARGPPARALMNA
SCHEMBL333764 0.91 PPARG (0.42) SCN9APPARGPPARALMNA
SCHEMBL335343 0.90 THRB (0.44) THRBSMN1; SMN2TP53MAPTPPARG
SCHEMBL334935 0.89 SCN9A (0.45) SCN9APPARGPPARAMAPK1MEN1
SCHEMBL333797 0.88 SMN1; SMN2 (0.42) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL333880 0.87 SMN1; SMN2 (0.41) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL333605 0.85 SCN9A (0.45) SCN9ATHRBSMN1; SMN2TP53MAPT
SCHEMBL4223256 0.84 PTGES (0.46) THRBSMN1; SMN2TP53MAPTPPARG
SCHEMBL333812 0.83 ALOX5 (0.43) THRBSMN1; SMN2TP53MAPTPPARG

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 3896/4885THRB 575/4885SMN1; SMN2 3963/4885

“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.