SCHEMBL10114490

SCHEMBL10114490

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.64
KDM4E B2RXH2 3/20 0.63
EPHX2 P34913 1/20 0.57
EGFR P00533 1/20 0.56
ERBB4 Q15303 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 1/20 0.56
RXFP1 Q9HBX9 5/20 0.55
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.53
USP2 O75604 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
UBE2M P61081 3/20 0.52

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
SCHEMBL14424163 1.00 NPY5R (0.64) NPY5RKDM4EEPHX2EGFRERBB4
SCHEMBL13523285 0.89 NPY5R (0.56) NPY5RKDM4EEPHX2EGFRERBB4
SCHEMBL10133214 0.86 NPY5R (0.54) NPY5RKDM4EMEN1KMT2AALDH1A1
SCHEMBL10114319 0.86 NPY5R (0.54) NPY5RKDM4EMEN1KMT2AALDH1A1
SCHEMBL13203872 0.86 NPY5R (0.72) NPY5RKDM4EEPHX2MEN1KMT2A
SCHEMBL10113370 0.86 NPY5R (0.72) NPY5RKDM4EEPHX2MEN1KMT2A
SCHEMBL14424377 0.86 KDM4E (0.62) KDM4EEPHX2EGFRERBB4MEN1
SCHEMBL10114901 0.86 KDM4E (0.62) KDM4EEPHX2EGFRERBB4MEN1
SCHEMBL13203717 0.85 NPY5R (0.53) NPY5RKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL10114576 0.85 ALDH1A1 (0.56) NPY5RALDH1A1RXFP1SMN1; SMN2LMNA

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-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-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 1/4885KDM4E 1668/4885EPHX2 2158/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KDM4E 1627/4885EPHX2 2527/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885KDM4E 1653/4885EPHX2 2306/4885

“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.