SCHEMBL333567

SCHEMBL333567

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 1/20 0.42
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HPGD P15428 1/20 0.39
AKR1C3 P42330 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
SCHEMBL333747 0.92 MEN1 (0.43) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL333846 0.92 ALOX5 (0.45) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL333828 0.91 TP53 (0.49) ALOX5MEN1KMT2AMAPTTSHR
SCHEMBL333849 0.91 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTTHRB
SCHEMBL333651 0.90 USP14 (0.44) ALOX5MEN1KMT2AMAPTTHRB
SCHEMBL333418 0.90 THRB (0.52) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL333812 0.88 ALOX5 (0.43) ALOX5MEN1KMT2AMAPTATM
SCHEMBL334124 0.88 ALOX5 (0.43) ALOX5MEN1KMT2AMAPTATM
SCHEMBL333345 0.86 NPSR1 (0.48) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL334048 0.85 ALOX5 (0.44) ALOX5MEN1KMT2AMAPTLMNA

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 1146/4885MEN1 2066/4885KMT2A 3484/4885

“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.