SCHEMBL10114686

SCHEMBL10114686

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
RAB9A P51151 5/20 0.44
DEGS1 O15121 4/20 0.44
NPC1 O15118 3/20 0.44
PTGS1 P23219 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.42
POLB P06746 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
SCHEMBL10115444 0.86 DEGS1 (0.46) NPY5RRAB9ADEGS1NPC1PTGS1
SCHEMBL11935364 0.82 NPY5R (0.47) NPY5RRAB9ANPC1PTGS1GAA
SCHEMBL10113642 0.82 ALDH1A1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL10115083 0.79 HDAC1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL3654312 0.78 NPY5R (0.47) NPY5RRAB9ADEGS1NPC1PTGS1
SCHEMBL10115103 0.76 HDAC6 (0.63) MAPK1L3MBTL1ALDH1A1SMN1; SMN2GAA
SCHEMBL10115077 0.76 HDAC6 (0.45) NPY5RRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10115242 0.76 HDAC3 (0.60)
SCHEMBL10115032 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL10115222 0.75 ALDH1A1 (0.36) ALDH1A1

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 NPY5R 1/4885RAB9A 3699/4885DEGS1 2544/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885RAB9A 3651/4885DEGS1 2893/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885RAB9A 3820/4885DEGS1 2562/4885

“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.