SCHEMBL335343

SCHEMBL335343

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 5/20 0.44
MAPT P10636 3/20 0.44
ALOX5 P09917 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
POLB P06746 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL333812 0.93 ALOX5 (0.43) THRBSMN1; SMN2TP53MAPTALOX5
SCHEMBL4223256 0.92 PTGES (0.46) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL333728 0.91 ALOX5 (0.45) THRBSMN1; SMN2TP53MAPTALOX5
SCHEMBL334349 0.90 PPARG (0.44) AKR1C3AKR1C2PPARGPPARAMEN1
SCHEMBL334190 0.90 SCN9A (0.45) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL333779 0.86 PPARG (0.47) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL4223259 0.86 SMN1; SMN2 (0.38) THRBSMN1; SMN2TP53MAPTALOX5
SCHEMBL334099 0.85 ALOX5 (0.45) THRBSMN1; SMN2TP53MAPTALOX5
SCHEMBL333940 0.85 PTGES (0.44) THRBSMN1; SMN2TP53MAPTPOLB
SCHEMBL334124 0.85 ALOX5 (0.43) THRBSMN1; SMN2TP53MAPTALOX5

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 6 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
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 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 (2 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-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG THRB 433/4885SMN1; SMN2 3779/4885TP53 716/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG THRB 575/4885SMN1; SMN2 3963/4885TP53 738/4885

“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.