SCHEMBL10116639

SCHEMBL10116639

CC(C)S(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.67
EPHX2 P34913 6/20 0.59
NR1H4 Q96RI1 4/20 0.59
LSS P48449 1/20 0.58
PPARG P37231 5/20 0.56
MAPK14 Q16539 1/20 0.53
NAMPT P43490 1/20 0.51
MAPT P10636 2/20 0.51
SCN3A Q9NY46 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARD Q03181 1/20 0.50

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
SCHEMBL11936113 0.84 PPARA (0.56) PPARAPPARGMEN1KMT2A
SCHEMBL10114512 0.84 EPHX2 (0.64) PPARAEPHX2NR1H4LSSPPARG
SCHEMBL12882064 0.84 EPHX2 (0.62) PPARAEPHX2NR1H4PPARGMAPT
SCHEMBL13565993 0.83 PPARA (0.55) PPARA
SCHEMBL10116572 0.83 TRPV1 (0.62) PPARAMAPTLMNA
SCHEMBL5307831 0.77 PPARA (0.51) PPARAEPHX2NR1H4LMNA
SCHEMBL13947580 0.77 LSS (0.72) PPARAEPHX2NR1H4LSSPPARG
SCHEMBL14424840 0.77 LSS (0.57) PPARAEPHX2NR1H4LSSPPARG
SCHEMBL12010898 0.77 MAPT (0.80) PPARALSSMAPK14NAMPTMAPT
SCHEMBL6572354 0.76 HDAC6 (0.72) PPARAEPHX2LSSPPARGMAPK14

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-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
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 (2 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 PPARA 1501/4885EPHX2 2158/4885NR1H4 283/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PPARA 1639/4885EPHX2 2527/4885NR1H4 311/4885

“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.