SCHEMBL333849

SCHEMBL333849

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ELANE P08246 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL333828 0.93 TP53 (0.49) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333651 0.92 USP14 (0.44) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333418 0.92 THRB (0.52) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333935 0.91 ALOX5 (0.52) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333812 0.91 ALOX5 (0.43) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL334124 0.91 ALOX5 (0.43) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333567 0.91 ALOX5 (0.43) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333747 0.90 MEN1 (0.43) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL334099 0.90 ALOX5 (0.45) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333846 0.90 ALOX5 (0.45) ALOX5THRBSMN1; SMN2TP53MAPT

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 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.