SCHEMBL4035686

SCHEMBL4035686

O=Cc1ccc(-c2ccccc2OC(F)(F)F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
APP P05067 2/20 0.41
DPP4 P27487 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRF1 P14222 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.37
SCN9A Q15858 3/20 0.37
KDM4E B2RXH2 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
SCHEMBL31318094 0.80 APP (0.68) HDAC6APPDPP4ALDH1A1CYP2E1
SCHEMBL5737937 0.80 APP (0.68) HDAC6APPDPP4ALDH1A1CYP2E1
SCHEMBL4209625 0.76 SCN9A (0.62) CYP3A4PRF1SCN9AGAA
SCHEMBL25093294 0.75 APP (0.47) HDAC6APPALDH1A1L3MBTL1HSD11B1
SCHEMBL13221493 0.74 DPP4 (0.47) APPDPP4NPFFR1NPFFR2ALDH1A1
SCHEMBL30096286 0.72 PGR (0.43) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL6535970 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD11B1POLBNPSR1
SCHEMBL1134037 0.72 ERCC5 (0.49) HDAC6APPDPP4CYP2E1CYP3A4
SCHEMBL7701143 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD11B1POLBNPSR1
SCHEMBL20546061 0.72 CYP2E1 (0.48) HDAC6APPDPP4CYP2E1CYP3A4

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 HDAC6 238/4885APP 1699/4885DPP4 950/4885

“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.