SCHEMBL333586

SCHEMBL333586

CCOC(=O)CCNCc1c(C(=O)O)n(-c2ccc(OC(C)C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.51
PPARG P37231 14/20 0.40
PPARA Q07869 5/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NR1H4 Q96RI1 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
SCHEMBL334001 0.94 PTGES (0.47) PTGESPPARGPPARATP53POLB
Hydrochloric Acid SCHEMBL333806 0.91 PTGES (0.54) PTGESPPARGPPARATP53POLB
SCHEMBL3013332 0.89 PTGES (0.56) PTGESPPARGPPARATP53POLB
Hydrochloric Acid SCHEMBL3007565 0.88 PTGES (0.55) PTGESPPARGPPARATP53POLB
Hydrochloric Acid SCHEMBL3007119 0.86 PTGES (0.53) PTGESPPARGPPARATP53POLB
SCHEMBL1407310 0.86 PTGES (0.49) PTGESPPARGPPARATP53POLB
Hydrochloric Acid SCHEMBL3007126 0.86 PTGES (0.53) PTGESPPARGPPARATP53POLB
SCHEMBL333585 0.85 PTGES (0.52) PTGESPPARGPPARACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3016500 0.82 PTGES (0.55) PTGESPPARGPPARATP53POLB
SCHEMBL3006815 0.81 PTGES (0.51) PTGESPPARGPPARATP53POLB

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.