SCHEMBL864449

SCHEMBL864449

COC(=O)C(O)CCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
TRPA1 O75762 1/20 0.52
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC1 Q13547 2/20 0.47
ALOX5 P09917 1/20 0.47
HDAC2 Q92769 1/20 0.47
TRPV1 Q8NER1 2/20 0.47

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
SCHEMBL3489121 0.94 CYP2D6 (0.47) FAAHHDAC1HDAC2
SCHEMBL6632225 0.87 TSHR (0.51) MAPT
SCHEMBL2935426 0.87 TSHR (0.51) MAPT
SCHEMBL6628027 0.87 TSHR (0.51) MAPT
SCHEMBL8089064 0.84 FAAH (0.51) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL23176819 0.83 S1PR2 (0.50) FAAHTRPA1MAPTRXFP1ALOX5
SCHEMBL30423678 0.83 FAAH (0.52) FAAH
SCHEMBL17760828 0.82 FAAH (0.50) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL10942249 0.82 TRPA1 (0.56) FAAHTRPA1MAPTRXFP1HDAC1
SCHEMBL10942505 0.82 TRPA1 (0.56) FAAHTRPA1MAPTRXFP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US 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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE FAAH 24/4885TRPA1 3511/4885MAPT 2715/4885

“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.