SCHEMBL333345

SCHEMBL333345

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ALOX5 P09917 1/20 0.41
BTK Q06187 1/20 0.40
THRB P10828 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RAF1 P04049 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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 0.88 TP53 (0.49) TSHRMAPTHTTALOX5THRB
SCHEMBL333849 0.88 ALOX5 (0.46) MAPTALOX5THRBSMN1; SMN2TP53
SCHEMBL333651 0.88 USP14 (0.44) MAPTALOX5THRBSMN1; SMN2TP53
SCHEMBL333418 0.87 THRB (0.52) NPSR1TSHRMAPTALDH1A1ALOX5
SCHEMBL1414154 0.87 PPARG (0.41) NPSR1TSHRLMNAMAPTALDH1A1
SCHEMBL334124 0.86 ALOX5 (0.43) MAPTALOX5THRBSMN1; SMN2TP53
SCHEMBL333812 0.86 ALOX5 (0.43) MAPTALOX5THRBSMN1; SMN2TP53
SCHEMBL333567 0.86 ALOX5 (0.43) TSHRLMNAMAPTALDH1A1ALOX5
SCHEMBL333747 0.85 MEN1 (0.43) LMNAMAPTALOX5THRBSMN1; SMN2
SCHEMBL333865 0.85 ALOX5 (0.44) NPSR1TSHRMAPTHTTALOX5

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 NPSR1 144/4885TSHR 1377/4885LMNA 3579/4885

“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.