SCHEMBL10114150

SCHEMBL10114150

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 3/20 0.57
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.53
EPHX2 P34913 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL10113305 0.92 CYP2C19 (0.51) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL13203839 0.92 CYP2C19 (0.51) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL10114151 0.86 NPY5R (0.61) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL10113367 0.86 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4E
SCHEMBL13203870 0.86 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4E
SCHEMBL10114156 0.86 ALDH1A1 (0.47) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL10113304 0.85 NPY5R (0.44) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL13203838 0.85 NPY5R (0.44) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL10113301 0.85 MAPT (0.60) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL13203837 0.85 MAPT (0.60) CYP2C19MEN1KMT2APOLBALDH1A1

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 CYP2C19 1251/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP2C19 1491/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP2C19 1159/4885MEN1 2926/4885KMT2A 2953/4885

“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.