SCHEMBL10115086

SCHEMBL10115086

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2scnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HDAC6 Q9UBN7 4/20 0.45
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
CHRM5 P08912 4/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
QPCT Q16769 1/20 0.39
AURKA O14965 1/20 0.39
HIF1A Q16665 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39

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
SCHEMBL10113629 0.92 HDAC6 (0.47) KEAP1NFE2L2HDAC6ALDH1A1SMN1; SMN2
SCHEMBL10115353 0.86 KEAP1 (0.47) KEAP1NFE2L2HDAC6HSD11B1ALDH1A1
SCHEMBL13565257 0.84 ALDH1A1 (0.46) KEAP1NFE2L2HSD11B1ALDH1A1MAPK1
SCHEMBL10113503 0.82 SMN1; SMN2 (0.46) HDAC6ALDH1A1SMN1; SMN2LMNAHDAC3
SCHEMBL10113639 0.81 MEN1 (0.47) HDAC6ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL10113626 0.79 SMN1; SMN2 (0.46) HDAC6ALDH1A1SMN1; SMN2LMNAHDAC3
SCHEMBL10113898 0.79 HDAC6 (0.47) KEAP1NFE2L2HDAC6ALDH1A1SMN1; SMN2
SCHEMBL10115105 0.79 ALDH1A1 (0.43) HDAC6ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL13370602 0.78 ALDH1A1 (0.48) HDAC6ALDH1A1SMN1; SMN2LMNAHDAC3
SCHEMBL10113535 0.77 HDAC6 (0.74) HDAC6ALDH1A1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KEAP1 4242/4885NFE2L2 3863/4885HDAC6 1853/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KEAP1 4397/4885NFE2L2 4137/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KEAP1 4231/4885NFE2L2 3860/4885HDAC6 1849/4885

“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.