SCHEMBL334136

SCHEMBL334136

CCOC(=O)c1c(C=O)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.53
PPARG P37231 9/20 0.39
PPARA Q07869 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
SERPINE1 P05121 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4021254 0.88 PTGES (0.59) PTGESPPARGPPARANR1H4SMN1; SMN2
SCHEMBL3013326 0.88 PTGES (0.62) PTGESPPARGPPARA
SCHEMBL4698398 0.88 PTGES (0.55) PTGESPPARGPPARANR1H4SMN1; SMN2
SCHEMBL4700726 0.86 PTGES (0.53) PTGESPPARGPPARANR1H4SMN1; SMN2
SCHEMBL3012072 0.84 PTGES (0.51) PTGESPPARGPPARANR1H4SMN1; SMN2
SCHEMBL4698609 0.84 PTGES (0.51) PTGESPPARGPPARANR1H4SMN1; SMN2
SCHEMBL4700108 0.84 PTGES (0.51) PTGESPPARGPPARANR1H4SMN1; SMN2
SCHEMBL334166 0.84 PTGES (0.40) PTGESPPARGPPARASMN1; SMN2THRB
SCHEMBL333693 0.83 MAPT (0.43) PTGESSMN1; SMN2THRBMAPTTP53
SCHEMBL1407310 0.83 PTGES (0.49) PTGESPPARGPPARANR1H4SMN1; SMN2

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION 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 33/4885PPARG 2505/4885PPARA 3519/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG PTGES 34/4885PPARG 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.