SCHEMBL333958

SCHEMBL333958

COC(=O)c1c(C(=O)O)c2cc(Oc3cccc(Cl)c3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PPARG P37231 7/20 0.42
USP14 P54578 1/20 0.42
MAPK8 P45983 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK9 P45984 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
SCHEMBL333957 0.94 MAPT (0.42) KDM4EPPARGUSP14MAPK8CYP1A2
SCHEMBL333839 0.92 PPARG (0.47) KDM4EPPARGUSP14MEN1KMT2A
SCHEMBL27697441 0.92 PPARG (0.48) KDM4EPPARGUSP14MAPK8CYP1A2
SCHEMBL27697440 0.86 PPARG (0.45) KDM4EPPARGUSP14MAPK8CYP1A2
SCHEMBL335009 0.84 PTGES (0.52) PPARGMAPK8PPARAPTGES
SCHEMBL333497 0.83 USP14 (0.44) KDM4EPPARGUSP14MEN1KMT2A
SCHEMBL333738 0.83 PPARG (0.48) KDM4EPPARGPPARAPTGES
SCHEMBL1407297 0.83 KDM4E (0.40) KDM4EPPARGCYP1A2CYP3A4CYP2C19
SCHEMBL335545 0.83 MDM2 (0.44) KDM4EUSP14CYP1A2CYP3A4CYP2C19
SCHEMBL503756 0.83 USP14 (0.45) KDM4EPPARGUSP14MEN1KMT2A

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 KDM4E 1104/4885PPARG 2451/4885USP14 3873/4885

“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.