SCHEMBL334049

SCHEMBL334049

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3cc(F)c(OC)c(F)c3F)ccc2n1-c1ccc(N(CC)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL1407252 0.91 TP53 (0.42) TP53MAPTTHRBMEN1KMT2A
SCHEMBL335074 0.88 TP53 (0.44) TP53MAPTTHRBMEN1KMT2A
SCHEMBL334048 0.82 ALOX5 (0.44) TP53MAPTTHRBMEN1KMT2A
SCHEMBL334022 0.82 MEN1 (0.44) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333747 0.82 MEN1 (0.43) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333921 0.81 PTGS2 (0.50) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333584 0.80 PTGES (0.49) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333739 0.79 KMT2A (0.62) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL333628 0.77 MEN1 (0.42) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333844 0.76 MEN1 (0.45) TP53MAPTTHRBMEN1KMT2A

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 TP53 738/4885MAPT 49/4885THRB 575/4885

“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.