SCHEMBL334124

SCHEMBL334124

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 2/20 0.41
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.39
PTGES O14684 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
SCHEMBL333541 0.93 PPARG (0.47) THRBSMN1; SMN2PPARGTP53MAPT
SCHEMBL333812 0.92 ALOX5 (0.43) ALOX5THRBSMN1; SMN2PPARGTP53
SCHEMBL333651 0.91 USP14 (0.44) ALOX5THRBSMN1; SMN2PPARGTP53
SCHEMBL333828 0.91 TP53 (0.49) ALOX5THRBSMN1; SMN2PPARGTP53
SCHEMBL333849 0.91 ALOX5 (0.46) ALOX5THRBSMN1; SMN2PPARGTP53
SCHEMBL332665 0.90 PTGES (0.45) ALOX5THRBSMN1; SMN2TP53POLB
SCHEMBL333484 0.90 USP14 (0.45) THRBSMN1; SMN2TP53POLBMAPT
SCHEMBL333418 0.90 THRB (0.52) ALOX5THRBSMN1; SMN2TP53MAPT
SCHEMBL333467 0.89 SMN1; SMN2 (0.44) THRBSMN1; SMN2TP53POLBMAPT
SCHEMBL333567 0.88 ALOX5 (0.43) ALOX5THRBSMN1; SMN2PPARGTP53

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 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.