SCHEMBL333461

SCHEMBL333461

CCOC(=O)Cc1c(C(=O)OCC)c2cc(OS(=O)(=O)C(F)(F)F)ccc2n1-c1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 1/20 0.41
PTGES O14684 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL334124 0.85 ALOX5 (0.43) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL333541 0.83 PPARG (0.47) THRBSMN1; SMN2TP53MAPTPTGES
SCHEMBL333484 0.83 USP14 (0.45) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL333920 0.82 KMT2A (0.57) SMN1; SMN2MAPTMEN1KMT2APTGES
SCHEMBL334159 0.82 TP53 (0.45) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL333467 0.82 SMN1; SMN2 (0.44) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL332665 0.82 PTGES (0.45) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL333935 0.81 ALOX5 (0.52) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL334103 0.81 PTGES (0.50) THRBSMN1; SMN2TP53MAPTMEN1
SCHEMBL334099 0.78 ALOX5 (0.45) THRBSMN1; SMN2TP53MAPTMEN1

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 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.