SCHEMBL5434776

SCHEMBL5434776

CCCCOc1cccc(OCC(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.81
LMNA P02545 1/20 0.68
PPARA Q07869 2/20 0.67
PPARG P37231 2/20 0.67
TSHR P16473 1/20 0.57
CYSLTR2 Q9NS75 1/20 0.57
CYSLTR1 Q9Y271 1/20 0.57
ALOX15 P16050 1/20 0.56
PPARD Q03181 2/20 0.56
PTPN7 P35236 1/20 0.56
KMT2A Q03164 1/20 0.55

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
SCHEMBL5429541 0.88 PLA2G4B (0.68) PLA2G4BLMNATSHRALOX15
SCHEMBL13349839 0.87 PLA2G4B (0.63) PLA2G4BPPARAPPARGKMT2A
SCHEMBL413254 0.86 LMNA (0.81) PLA2G4BLMNAPPARAPPARGTSHR
SCHEMBL3166349 0.85 LMNA (0.65) PLA2G4BLMNAPPARAPPARGCYSLTR2
SCHEMBL15063356 0.84 LMNA (0.74) PLA2G4BLMNAPPARAPPARGALOX15
SCHEMBL8744429 0.84 PLA2G4B (0.73) PLA2G4BTSHR
SCHEMBL4397448 0.84 TSHR (0.63) PLA2G4BTSHRCYSLTR2CYSLTR1KMT2A
SCHEMBL3159400 0.83 LMNA (0.63) PLA2G4BLMNAPPARAPPARGCYSLTR2
SCHEMBL11842813 0.83 PLA2G4B (0.76) PLA2G4BTSHR
SCHEMBL9163844 0.83 PLA2G4B (0.76) PLA2G4BTSHR

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-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1620410-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) AstraZeneca AB (SE) 2006-02-01 EP disclosed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 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-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) MPO, XDH, EPX PLA2G4B 1964/4885LMNA 4383/4885PPARA 2003/4885

“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.