SCHEMBL10115001

SCHEMBL10115001

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 3/20 0.53
GAA P10253 3/20 0.53
HDAC3 O15379 4/20 0.53
HDAC1 Q13547 4/20 0.53
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL10114993 0.85 HDAC3 (0.53) GAAHDAC3HDAC1ALDH1A1L3MBTL1
SCHEMBL10115331 0.85 KMT2A (0.53) KMT2ACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10115117 0.84 ALDH1A1 (0.41) KMT2ACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL13565999 0.81 L3MBTL1 (0.41) KMT2ACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10114989 0.80 HDAC6 (0.67) CYP3A4HDAC3HDAC1ALDH1A1KDM4E
SCHEMBL6017228 0.79 POLB (0.63) KMT2ACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10115083 0.79 HDAC1 (0.46) POLBHDAC3HDAC1ALDH1A1L3MBTL1
SCHEMBL4145745 0.78 GAA (0.62) KMT2ACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10115121 0.78 GSTO1 (0.47) CYP1A2CYP2C19CYP2C9GAAHDAC3
SCHEMBL13204548 0.78 GSTO1 (0.47) KMT2AHDAC3HDAC1ALDH1A1

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 KMT2A 2912/4885CYP1A2 1092/4885CYP3A4 1628/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885CYP1A2 1230/4885CYP3A4 1677/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885CYP1A2 1051/4885CYP3A4 1560/4885

“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.