SCHEMBL4035311

SCHEMBL4035311

O=Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
DRD1 P21728 2/20 0.48
SCN5A Q14524 2/20 0.44
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
KIF11 P52732 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SERPINE1 P05121 2/20 0.40
F9 P00740 1/20 0.40
ABL1 P00519 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PIP4K2A P48426 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
SCHEMBL505254 0.84 DRD1 (0.68) TRIM24TRIM33DRD1SCN5AKIF11
SCHEMBL505301 0.83 DRD1 (0.56) CA12CA9DRD1SCN5AAURKA
SCHEMBL29628993 0.82 SCN5A (0.54) CA12CA9SCN5AAURKATPX2
SCHEMBL18002361 0.82 AURKA (0.47) CA12CA9DRD1SCN5AAURKA
SCHEMBL29394922 0.81 PIM1 (0.52) DRD1ALDH1A1KMT2A
SCHEMBL68710 0.81 PIM1 (0.52) DRD1ALDH1A1KMT2A
SCHEMBL24512554 0.81 SRC (0.45) MEN1ALDH1A1KMT2A
SCHEMBL31556430 0.81 SRC (0.45) MEN1ALDH1A1KMT2A
SCHEMBL11770226 0.80 TRIM24 (0.71) TRIM24TRIM33CA12CA9CA1
SCHEMBL18002211 0.79 DRD1 (0.50) DRD1SERPINE1SLC6A7SLC13A5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211195-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-11-02 WO disclosed
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 TRIM24 3004/4885TRIM33 3859/4885CA12 2447/4885

“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.