SCHEMBL333816

SCHEMBL333816

CCOC(=O)c1c(CC(=O)O)n(-c2ccc(OC(F)(F)F)cc2)c2ccc(Oc3ncccc3C(N)=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGES O14684 1/20 0.40
ROCK2 O75116 3/20 0.40
ELANE P08246 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL333832 0.94 MAPT (0.44) TP53THRBSMN1; SMN2ALOX5MAPT
SCHEMBL333558 0.89 TP53 (0.43) TP53THRBSMN1; SMN2MAPTMEN1
SCHEMBL333405 0.83 TP53 (0.42) TP53THRBSMN1; SMN2MAPTMEN1
SCHEMBL333868 0.81 USP14 (0.47) TP53THRBSMN1; SMN2ALOX5MAPT
SCHEMBL5506893 0.80 RAB9A (0.40) MEN1KMT2AROCK2
SCHEMBL333844 0.79 MEN1 (0.45) TP53THRBSMN1; SMN2ALOX5MAPT
SCHEMBL333326 0.78 ALOX5 (0.41) TP53THRBSMN1; SMN2ALOX5MAPT
SCHEMBL333935 0.76 ALOX5 (0.52) TP53THRBSMN1; SMN2ALOX5MAPT
SCHEMBL333728 0.76 ALOX5 (0.45) TP53THRBSMN1; SMN2ALOX5MAPT
SCHEMBL333849 0.76 ALOX5 (0.46) TP53THRBSMN1; SMN2ALOX5MAPT

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 738/4885THRB 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.