SCHEMBL333979

SCHEMBL333979

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3cccc(Cl)c3)ccc2n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.55
TP53 P04637 6/20 0.53
THRB P10828 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
USP14 P54578 1/20 0.46

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
SCHEMBL333571 0.93 TP53 (0.55) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL334103 0.91 PTGES (0.50) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL334106 0.90 PTGES (0.49) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL333732 0.90 PTGES (0.49) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL333584 0.90 PTGES (0.49) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL333680 0.88 PTGES (0.45) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL334026 0.88 PTGES (0.46) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL333533 0.87 TP53 (0.54) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL333861 0.87 PTGES (0.46) PTGESTP53THRBSMN1; SMN2MAPT
SCHEMBL333418 0.84 THRB (0.52) TP53THRBSMN1; SMN2MAPTMEN1

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 34/4885TP53 738/4885THRB 575/4885

“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.