SCHEMBL8546830

SCHEMBL8546830

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(F)c(F)c3)n[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPY5R Q15761 2/20 0.38
KIT P10721 2/20 0.38
MAPK14 Q16539 1/20 0.38
AOC3 Q16853 7/20 0.37
SGK1 O00141 2/20 0.35
ULK1 O75385 1/20 0.35
MAP2K7 O14733 1/20 0.34
MAP2K4 P45985 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL8528846 0.86 RAB9A (0.40) NPY5RKITMAPK14AOC3SGK1
SCHEMBL90838 0.84 ULK1 (0.40) KMT2AMAPK14ULK1
SCHEMBL91041 0.84 SCN9A (0.33) NPY5RKITMAPK14AOC3ULK1
SCHEMBL90944 0.84 USP30 (0.44) NPY5RAOC3ULK1
SCHEMBL91038 0.74 GRIA2 (0.47) KITAOC3MAP2K7MAP2K4
SCHEMBL90946 0.72 KMT2A (0.41) KMT2A
SCHEMBL91023 0.72 MKNK1 (0.57) KMT2AMAP2K7MAP2K4
SCHEMBL91042 0.71 ULK1 (0.43) ULK1
SCHEMBL8547726 0.70 MKNK1 (0.39) KMT2ASGK1
SCHEMBL91004 0.70 DRD4 (0.57) KMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CPT1A 3953/4885KMT2A 2284/4885TDP1 4001/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CPT1A 3953/4885KMT2A 2284/4885TDP1 4001/4885

“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.