SCHEMBL333761

SCHEMBL333761

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1-c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
ALOX5 P09917 2/20 0.42
AKR1C3 P42330 2/20 0.42
MAPT P10636 2/20 0.41
AKR1C2 P52895 1/20 0.40
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PTGS2 P35354 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL333418 0.87 THRB (0.52) TP53ALOX5MAPTTHRBSMN1; SMN2
SCHEMBL1414368 0.87 AKR1C3 (0.39) TP53AKR1C3AKR1C2PTGS2
SCHEMBL333828 0.86 TP53 (0.49) TP53ALOX5AKR1C3MAPTAKR1C2
SCHEMBL333527 0.86 AKR1C3 (0.46) TP53ALOX5AKR1C3MAPTAKR1C2
SCHEMBL333849 0.83 ALOX5 (0.46) TP53ALOX5AKR1C3MAPTTHRB
SCHEMBL333897 0.83 AKR1C3 (0.43) TP53ALOX5AKR1C3MAPTAKR1C2
SCHEMBL333861 0.82 PTGES (0.46) TP53ALOX5MAPTTHRBSMN1; SMN2
SCHEMBL333352 0.82 ALOX5 (0.58) ALOX5MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL333651 0.82 USP14 (0.44) TP53ALOX5MAPTTHRBSMN1; SMN2
SCHEMBL333894 0.81 SMN1; SMN2 (0.43) TP53ALOX5MAPTTHRBSMN1; SMN2

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 738/4885ALOX5 1146/4885AKR1C3 538/4885

“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.