SCHEMBL10114495

SCHEMBL10114495

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3ccsc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
TRPV1 Q8NER1 4/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 1/20 0.40
HDAC1 Q13547 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL10114494 0.91 HDAC8 (0.50) RAB9ANPC1NPSR1SMN1; SMN2HPGD
SCHEMBL10116607 0.83 LMNA (0.44) RAB9ANPC1NPSR1SMN1; SMN2HPGD
SCHEMBL10116295 0.83 MAPT (0.43) RAB9ANPC1NPSR1SMN1; SMN2HPGD
SCHEMBL10116240 0.80 MEN1 (0.55) RAB9ANPC1NPSR1SMN1; SMN2TRPV1
SCHEMBL10114485 0.79 RAB9A (0.59) RAB9ANPC1NPSR1SMN1; SMN2MEN1
SCHEMBL10116342 0.78 ALDH1A1 (0.41) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL11935293 0.77 CA1 (0.37) RAB9ANPC1SMN1; SMN2TRPV1MEN1
SCHEMBL10116308 0.77 HSD11B1 (0.59) RAB9ANPC1NPSR1SMN1; SMN2TRPV1
SCHEMBL10116210 0.76 MAPT (0.61) RAB9ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL10116345 0.76 NPC1 (0.58) RAB9ANPC1NPSR1SMN1; SMN2HPGD

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 RAB9A 3699/4885NPC1 1435/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885NPSR1 7/4885

“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.