SCHEMBL334166

SCHEMBL334166

CCOC(=O)c1c(C=O)c2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.40
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.37
POLB P06746 1/20 0.37
SCN9A Q15858 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 2/20 0.34
MAOB P27338 1/20 0.34
GCK P35557 1/20 0.34
THRB P10828 2/20 0.34
ALOX5AP P20292 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL333722 0.91 PTGES (0.36) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL333721 0.91 PTGES (0.36) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3001790 0.91 KDM4E (0.40) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL2997500 0.90 KDM4E (0.40) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3001229 0.89 PTGES (0.35) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3001233 0.89 PTGES (0.35) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3008051 0.89 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3006452 0.89 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3001004 0.89 KDM4E (0.39) PTGESKDM4EL3MBTL1PPARAPPARG
SCHEMBL3000835 0.88 KMT2A (0.43) PTGESKDM4EL3MBTL1PPARAPPARG

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 6 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US 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 (2 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885KDM4E 1317/4885L3MBTL1 2062/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 34/4885KDM4E 1104/4885L3MBTL1 2281/4885

“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.