SCHEMBL334000

SCHEMBL334000

CCOC(=O)CN(C)Cc1c(C(=O)OCC)n(-c2ccc(OC(C)C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK8 P45983 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
SERPINE1 P05121 1/20 0.33
SLC6A9 P48067 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 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
SCHEMBL333585 0.94 PTGES (0.52) PTGESPPARGPPARACYP2C9CYP2C19
SCHEMBL3012072 0.91 PTGES (0.51) PTGESPPARGPPARANR1H4THRB
SCHEMBL334001 0.85 PTGES (0.47) PTGESPPARGPPARACYP2C9CYP2C19
SCHEMBL1407310 0.85 PTGES (0.49) PTGESPPARGPPARACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL333805 0.84 PTGES (0.55) PTGESPPARGPPARASERPINE1
SCHEMBL4021254 0.83 PTGES (0.59) PTGESPPARGPPARACYP2C9CYP2C19
SCHEMBL4698609 0.83 PTGES (0.51) PTGESPPARGPPARANR1H4THRB
SCHEMBL4698398 0.83 PTGES (0.55) PTGESPPARGPPARACYP2C9CYP2C19
SCHEMBL3000522 0.81 PTGES (0.48) PTGESSMN1; SMN2MAPK8MAPTMEN1
SCHEMBL4700726 0.81 PTGES (0.53) PTGESPPARGPPARANR1H4THRB

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 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.