SCHEMBL335076

SCHEMBL335076

CCOC(=O)c1c(C(=O)OCC)n(-c2ccc(OC(C)C)cc2)c2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
THRB P10828 2/20 0.50
POLB P06746 2/20 0.47
MAPT P10636 5/20 0.46
TP53 P04637 5/20 0.46
ATM Q13315 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3009481 0.94 KMT2A (0.50) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL3007173 0.91 MAPT (0.46) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL3571150 0.89 MAPT (0.45) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL333931 0.89 MAPT (0.45) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL3016031 0.89 MAPT (0.45) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL28768983 0.87 MAPT (0.47) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL3012396 0.87 MAPT (0.43) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL333693 0.87 MAPT (0.43) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL3011590 0.86 MAPT (0.43) SMN1; SMN2THRBPOLBMAPTTP53
SCHEMBL3012983 0.85 MAPT (0.42) SMN1; SMN2THRBPOLBMAPTTP53

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 SMN1; SMN2 3963/4885THRB 575/4885POLB 4401/4885

“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.