SCHEMBL10113639

SCHEMBL10113639

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC6 Q9UBN7 5/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PKM P14618 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10115105 0.91 ALDH1A1 (0.43) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL10113904 0.85 MEN1 (0.47) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL10115110 0.83 ALDH1A1 (0.42) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL13565286 0.83 TPSAB1 (0.38) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10115086 0.81 KEAP1 (0.46) HDAC6ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL10115008 0.81 L3MBTL1 (0.56) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL13716773 0.80 MEN1 (0.46) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL13370602 0.79 ALDH1A1 (0.48) MEN1KMT2AHDAC6ALDH1A1LMNA
SCHEMBL10113503 0.79 SMN1; SMN2 (0.46) HDAC6ALDH1A1LMNANPC1RAB9A
SCHEMBL10113629 0.79 HDAC6 (0.47) MEN1KMT2AHDAC6ALDH1A1LMNA

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 MEN1 2876/4885KMT2A 2912/4885HDAC6 1853/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885HDAC6 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.