SCHEMBL333326

SCHEMBL333326

CCOC(=O)c1c(CC(=O)O)n(-c2ccc(OC(F)(F)F)cc2)c2ccc(Oc3ccc(CCl)cn3)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 1/20 0.39
TP53 P04637 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
ELANE P08246 1/20 0.38
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL334065 0.94 ALOX5 (0.41) ALOX5THRBSMN1; SMN2PTGESTP53
SCHEMBL333880 0.89 SMN1; SMN2 (0.41) THRBSMN1; SMN2PTGESTP53MEN1
SCHEMBL334156 0.83 TP53 (0.41) THRBSMN1; SMN2PTGESTP53MEN1
SCHEMBL333868 0.83 USP14 (0.47) ALOX5THRBSMN1; SMN2PTGESTP53
SCHEMBL333605 0.83 SCN9A (0.45) ALOX5THRBSMN1; SMN2TP53MEN1
SCHEMBL334190 0.81 SCN9A (0.45) THRBSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1407633 0.80 ACACB (0.38) PTGESMEN1KMT2AAKR1C4AKR1C3
SCHEMBL333427 0.80 SCN9A (0.42) THRBSMN1; SMN2MAPTHTT
SCHEMBL333844 0.79 MEN1 (0.45) ALOX5THRBSMN1; SMN2PTGESTP53
SCHEMBL333797 0.78 SMN1; SMN2 (0.42) THRBSMN1; SMN2PTGESTP53MEN1

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 ALOX5 1146/4885THRB 575/4885SMN1; SMN2 3963/4885

“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.