SCHEMBL333844

SCHEMBL333844

CCOC(=O)c1c(CC(=O)O)n(-c2ccc(N(CC)CC)cc2)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALOX5 P09917 1/20 0.44
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
ELANE P08246 1/20 0.41
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL334048 0.93 ALOX5 (0.44) MEN1KMT2AALOX5THRBSMN1; SMN2
SCHEMBL333566 0.92 PPARG (0.41) MEN1KMT2AALOX5THRBSMN1; SMN2
SCHEMBL333628 0.89 MEN1 (0.42) MEN1KMT2AALOX5THRBSMN1; SMN2
SCHEMBL333868 0.89 USP14 (0.47) MEN1KMT2AALOX5THRBSMN1; SMN2
SCHEMBL333747 0.86 MEN1 (0.43) MEN1KMT2AALOX5THRBSMN1; SMN2
SCHEMBL333846 0.85 ALOX5 (0.45) MEN1KMT2AALOX5THRBSMN1; SMN2
SCHEMBL334181 0.83 PPARG (0.43) MEN1KMT2A
SCHEMBL333665 0.83 MEN1 (0.44) MEN1KMT2AALOX5MAPTELANE
SCHEMBL503512 0.83 PPARG (0.43) MEN1KMT2ATHRBSMN1; SMN2TP53
SCHEMBL334022 0.83 MEN1 (0.44) MEN1KMT2ATHRBSMN1; SMN2TP53

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 MEN1 2066/4885KMT2A 3484/4885ALOX5 1146/4885

“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.