SCHEMBL335032

SCHEMBL335032

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(N)cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
THRB P10828 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL333797 0.94 SMN1; SMN2 (0.42) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL334156 0.89 TP53 (0.41) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL333746 0.88 SCN9A (0.45) TP53SMN1; SMN2THRBPOLBMAPT
SCHEMBL333965 0.88 TP53 (0.45) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL1415283 0.87 SMN1; SMN2 (0.43) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL333479 0.83 TP53 (0.52) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL333880 0.83 SMN1; SMN2 (0.41) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL333467 0.82 SMN1; SMN2 (0.44) TP53SMN1; SMN2THRBPOLBMEN1
SCHEMBL334935 0.82 SCN9A (0.45) MEN1KMT2A
SCHEMBL334190 0.82 SCN9A (0.45) TP53SMN1; SMN2THRBPOLBMEN1

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 TP53 738/4885SMN1; SMN2 3963/4885THRB 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.