SCHEMBL333427

SCHEMBL333427

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LIPE Q05469 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
BCHE P06276 1/20 0.39
THRB P10828 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 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
SCHEMBL333764 0.89 PPARG (0.42) SCN9ALMNAPPARGPPARA
SCHEMBL333774 0.88 PPARG (0.46) SCN9APPARGPPARA
SCHEMBL333605 0.84 SCN9A (0.45) SCN9ALMNAPPARGPPARAMAPT
SCHEMBL1414459 0.84 LMNA (0.46) SCN9ALMNAPPARGPPARAMAPT
SCHEMBL10076916 0.82 PPARG (0.47) PPARGPPARAMAPTHTTSMN1; SMN2
SCHEMBL334190 0.82 SCN9A (0.45) SCN9ALMNAPPARGPPARAMAPT
SCHEMBL333656 0.82 PPARG (0.43) PPARGPPARAMAPTTHRB
SCHEMBL333611 0.81 PPARG (0.47) LMNAPPARGPPARARAB9ACYP3A4
SCHEMBL334935 0.81 SCN9A (0.45) SCN9APPARGPPARA
SCHEMBL1407175 0.80 PPARG (0.39) PPARGPPARACYP2C9THRB

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 3896/4885LMNA 3579/4885PPARG 2451/4885

“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.