SCHEMBL333746

SCHEMBL333746

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.45
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL334935 0.94 SCN9A (0.45) SCN9AMAPK1PPARGPPARA
SCHEMBL334190 0.94 SCN9A (0.45) SCN9ATP53MAPK1LMNATHRB
SCHEMBL333605 0.92 SCN9A (0.45) SCN9ATP53MAPK1LMNATHRB
SCHEMBL333812 0.90 ALOX5 (0.43) TP53THRBSMN1; SMN2MAPTPOLB
SCHEMBL335032 0.88 TP53 (0.41) TP53THRBSMN1; SMN2MAPTPOLB
SCHEMBL334156 0.87 TP53 (0.41) TP53THRBSMN1; SMN2MAPTPOLB
SCHEMBL1414459 0.86 LMNA (0.46) SCN9ALMNAMAPTPPARGPPARA
SCHEMBL333779 0.86 PPARG (0.47) TP53THRBSMN1; SMN2MAPTPOLB
SCHEMBL333965 0.86 TP53 (0.45) TP53MAPK1LMNATHRBSMN1; SMN2
SCHEMBL333764 0.85 PPARG (0.42) SCN9ALMNAPPARGPPARA

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 SCN9A 3896/4885TP53 738/4885MAPK1 354/4885

“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.