SCHEMBL335333

SCHEMBL335333

COc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(S(C)(=O)=O)cc4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.42
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41
AGTR1 P30556 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL10051928 0.89 KDM4E (0.57) MEN1KMT2AKDM4EPOLBHTT
SCHEMBL333231 0.85 MEN1 (0.48) MEN1KMT2AKDM4EPOLBPTGDR2
SCHEMBL334428 0.84 AKR1C3 (0.50) MEN1KMT2AKDM4EPOLBHTT
SCHEMBL334341 0.82 TP53 (0.49) MEN1KMT2AMAPTPTGS2
SCHEMBL1407268 0.82 PPARG (0.50) MEN1KMT2AKDM4EPOLBHTT
SCHEMBL333473 0.80 PPARG (0.60) MEN1KMT2AKDM4EMAPT
SCHEMBL503871 0.80 MEN1 (0.48) MEN1KMT2AKDM4EPOLBHTT
SCHEMBL334162 0.77 USP14 (0.52) MEN1KMT2AKDM4EPOLBPTGDR2
SCHEMBL333959 0.77 USP14 (0.49) MEN1KMT2AKDM4EPTGDR2MAPT
SCHEMBL503872 0.77 USP14 (0.48) MEN1KMT2AKDM4EPTGDRPTGDR2

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 5 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
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO 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 3484/4885KDM4E 1104/4885

“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.