SCHEMBL333571

SCHEMBL333571

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(Cl)cc3)ccc2n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.55
THRB P10828 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
USP14 P54578 1/20 0.51
MAPT P10636 4/20 0.51
PTGES O14684 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PTGS2 P35354 2/20 0.47

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
SCHEMBL333979 0.93 PTGES (0.55) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL333484 0.90 USP14 (0.45) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL333533 0.89 TP53 (0.54) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL333651 0.88 USP14 (0.44) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL334022 0.88 MEN1 (0.44) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL333418 0.88 THRB (0.52) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL333995 0.87 USP14 (0.53) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL334026 0.86 PTGES (0.46) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL333861 0.85 PTGES (0.46) TP53THRBSMN1; SMN2MEN1KMT2A
SCHEMBL334103 0.84 PTGES (0.50) TP53THRBSMN1; SMN2MEN1KMT2A

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 TP53 738/4885THRB 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.