SCHEMBL333897

SCHEMBL333897

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
ALOX5 P09917 2/20 0.42
AKR1C2 P52895 1/20 0.42
TP53 P04637 2/20 0.41
PTGS2 P35354 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL333828 0.87 TP53 (0.49) AKR1C3ALOX5AKR1C2TP53PTGS2
SCHEMBL333527 0.85 AKR1C3 (0.46) AKR1C3ALOX5AKR1C2TP53PTGS2
SCHEMBL333681 0.84 ALOX5 (0.52) ALOX5TP53MEN1KMT2AATM
SCHEMBL333502 0.84 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2MEN1KMT2A
SCHEMBL333418 0.83 THRB (0.52) ALOX5TP53PTGS2MEN1KMT2A
SCHEMBL333761 0.83 TP53 (0.44) AKR1C3ALOX5AKR1C2TP53PTGS2
SCHEMBL333849 0.82 ALOX5 (0.46) AKR1C3ALOX5TP53MEN1KMT2A
SCHEMBL334192 0.81 TP53 (0.49) AKR1C3ALOX5AKR1C2TP53PTGS2
SCHEMBL333651 0.81 USP14 (0.44) ALOX5TP53PTGS2MEN1KMT2A
SCHEMBL333825 0.80 PPARG (0.51) AKR1C3AKR1C2TP53MEN1KMT2A

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 5 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
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO 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 AKR1C3 538/4885ALOX5 1146/4885AKR1C2 1019/4885

“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.