SCHEMBL4033254

SCHEMBL4033254

O=C1NC(=O)C(=Cc2cccc(-c3ccccc3C(F)(F)F)c2)S1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.71
PIM1 P11309 10/20 0.64
PIM2 Q9P1W9 10/20 0.64
CISD1 Q9NZ45 3/20 0.64
TTR P02766 1/20 0.64
CYP3A4 P08684 1/20 0.56
ESRRA P11474 1/20 0.56
PIM3 Q86V86 1/20 0.56
AKR1B1 P15121 4/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN1 P18031 1/20 0.52
GSK3B P49841 1/20 0.51

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
SCHEMBL4540360 1.00 SCN9A (0.71) SCN9APIM1PIM2CISD1TTR
SCHEMBL4527530 0.83 SCN9A (1.00) SCN9APIM1PIM2CISD1TTR
SCHEMBL4216037 0.83 SCN9A (1.00) SCN9APIM1PIM2CISD1TTR
SCHEMBL4216041 0.83 SCN9A (1.00) SCN9APIM1PIM2CISD1TTR
SCHEMBL4209957 0.81 PIM1 (0.67) SCN9APIM1PIM2CISD1TTR
SCHEMBL4033197 0.81 PIM1 (0.67) SCN9APIM1PIM2CISD1TTR
SCHEMBL4033200 0.81 PIM1 (0.67) SCN9APIM1PIM2CISD1TTR
SCHEMBL6202184 0.81 PIM1 (0.76) SCN9APIM1PIM2CISD1TTR
SCHEMBL4343451 0.79 SCN9A (0.61) SCN9APIM1PIM2CISD1TTR
SCHEMBL4343455 0.79 SCN9A (0.61) SCN9APIM1PIM2CISD1TTR

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
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 SCN9A 17/4885PIM1 3431/4885PIM2 3506/4885

“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.