SCHEMBL10113006

SCHEMBL10113006

CCCCc1ccc(C(=O)NCCCCN[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.52
PLK1 P53350 1/20 0.51
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MLYCD O95822 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 2/20 0.47
NAAA Q02083 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
HSP90AA1 P07900 1/20 0.45
ESRRB O95718 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA1 P00915 1/20 0.44

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
SCHEMBL10113650 0.83 PLK1 (0.51) ESRRGPLK1TMEM97SIGMAR1L3MBTL1
SCHEMBL9784422 0.81 L3MBTL1 (0.71) ESRRGPLK1TMEM97SIGMAR1L3MBTL1
SCHEMBL10949132 0.81 PLK1 (0.70) ESRRGPLK1TMEM97SIGMAR1L3MBTL1
SCHEMBL2408344 0.81 RARB (0.49) ESRRGMLYCDMEN1KMT2AALDH1A1
SCHEMBL10113048 0.81 PLK1 (0.46) ESRRGPLK1TMEM97SIGMAR1MLYCD
SCHEMBL10112840 0.79 HPGD (0.56) ALDH1A1SMN1; SMN2CA2NPC1RAB9A
SCHEMBL9491031 0.79 L3MBTL1 (0.71) PLK1TMEM97SIGMAR1L3MBTL1MLYCD
SCHEMBL10948379 0.78 PLK1 (0.70) ESRRGPLK1TMEM97SIGMAR1L3MBTL1
SCHEMBL13438606 0.78 HPGD (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13438603 0.78 HRH4 (0.50) SIGMAR1SMN1; 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 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 ESRRG 623/4885PLK1 4759/4885TMEM97 575/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ESRRG 731/4885PLK1 4747/4885TMEM97 645/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ESRRG 647/4885PLK1 4755/4885TMEM97 537/4885

“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.