SCHEMBL10114591

SCHEMBL10114591

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3cnco3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.52
IMPDH2 P12268 2/20 0.51
IMPDH1 P20839 1/20 0.51
GSK3B P49841 4/20 0.48
DYRK1A Q13627 4/20 0.48
WNT1 P04628 3/20 0.48
JAK3 P52333 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
SYK P43405 1/20 0.41

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
SCHEMBL14424346 1.00 NPY5R (0.52) NPY5RIMPDH2IMPDH1GSK3BDYRK1A
SCHEMBL10114949 0.86 WNT1 (0.48) IMPDH2IMPDH1GSK3BDYRK1AWNT1
SCHEMBL13204431 0.86 WNT1 (0.48) IMPDH2IMPDH1GSK3BDYRK1AWNT1
SCHEMBL31036310 0.84 WNT1 (0.62) IMPDH2IMPDH1GSK3BDYRK1AWNT1
SCHEMBL10115805 0.84 IMPDH2 (0.49) IMPDH2IMPDH1JAK3MEN1KMT2A
SCHEMBL14424256 0.83 NPY5R (0.48) NPY5RKMT2ANPC1KDM4ERAB9A
SCHEMBL10114560 0.83 NPY5R (0.48) NPY5RKMT2ANPC1KDM4ERAB9A
SCHEMBL10114563 0.82 NPY5R (0.53) NPY5RMEN1KMT2ANPC1RAB9A
SCHEMBL14424255 0.82 NPY5R (0.53) NPY5RMEN1KMT2ANPC1RAB9A
SCHEMBL17090368 0.80 IMPDH2 (0.42) NPY5RIMPDH2IMPDH1JAK3MEN1

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 9 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-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 NPY5R 1/4885IMPDH2 4846/4885IMPDH1 4844/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885IMPDH2 4846/4885IMPDH1 4836/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885IMPDH2 4847/4885IMPDH1 4844/4885

“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.