SCHEMBL333957

SCHEMBL333957

COC(=O)c1c(C(=O)OC)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3cccc(Cl)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP14 P54578 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 4/20 0.40
PPARG P37231 4/20 0.40
MAPK8 P45983 6/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
OGG1 O15527 1/20 0.38

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
SCHEMBL333958 0.94 KDM4E (0.42) MAPTMAPK1HTTPKMHPGD
SCHEMBL27697440 0.91 PPARG (0.45) MAPTMAPK1HTTPKMHPGD
SCHEMBL335545 0.86 MDM2 (0.44) MAPTMAPK1HTTPKMHPGD
SCHEMBL333839 0.86 PPARG (0.47) USP14KDM4EPPARG
SCHEMBL27697441 0.86 PPARG (0.48) MAPTMAPK1HTTPKMHPGD
SCHEMBL335008 0.83 PTGES (0.49) MAPTMAPK1HTTPKMHPGD
SCHEMBL333737 0.83 PPARG (0.45) MAPTMAPK1HTTPKMHPGD
SCHEMBL334112 0.82 MAPT (0.61) MAPTMAPK1HTTPKMHPGD
SCHEMBL1407296 0.82 MAPT (0.40) MAPTMAPK1HTTPKMHPGD
SCHEMBL333497 0.79 USP14 (0.44) MAPTUSP14KDM4EPPARG

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 MAPT 49/4885MAPK1 354/4885HTT 1793/4885

“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.