SCHEMBL863910

SCHEMBL863910

C=CCCCCC(O)C#N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.34
ABCC4 O15439 1/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
TRPA1 O75762 3/20 0.33
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL8021255 0.84
SCHEMBL21765838 0.77 TSHR (0.42) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL3123780 0.77 TSHR (0.43) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL28979512 0.76 TSHR (0.41) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL13937394 0.75
SCHEMBL2341471 0.75 TSHR (0.46) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL3119730 0.75 TSHR (0.46) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL3111655 0.75 TSHR (0.46) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL22207289 0.74 TSHR (0.39) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL3119454 0.74 TSHR (0.43) USP2ALDH1A1MAPTCYP3A4SMN1; SMN2

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 USP2 570/4885ALDH1A1 779/4885MAPT 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.