SCHEMBL8552097

SCHEMBL8552097

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3)c(C#N)[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
IKBKB O14920 4/20 0.34
CHUK O15111 4/20 0.34
IDH2 P48735 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CUL4A Q13619 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GALR3 O60755 1/20 0.32
CDK2 P24941 1/20 0.32
NPY5R Q15761 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL91030 0.81 KDM4E (0.34) GAAUCHL1USP30ALDH1A1HPGD
SCHEMBL16300070 0.78 NPY5R (0.35) UCHL1USP30IKBKBCHUKIDH2
SCHEMBL16300069 0.78 YTHDF3 (0.35) IDH2NPY5R
SCHEMBL90951 0.77 GAA (0.36) GAAUCHL1USP30IDH2ALDH1A1
SCHEMBL90847 0.75 PARP14 (0.36) IKBKBCHUKCDK2
SCHEMBL8576803 0.75 SCN9A (0.38) USP30ALDH1A1HPGDKDM4EMEN1
SCHEMBL90870 0.74 DRD4 (0.48) GAAUSP30MEN1KMT2ACDK2
SCHEMBL91001 0.72 USP30 (0.54) USP30MEN1KMT2ACDK2POLB
SCHEMBL8576816 0.72 GRM5 (0.46) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8596030 0.72 PDK2 (0.39) IKBKBCHUKCDK2NPY5RPDK2

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 GAA 4463/4885UCHL1 4197/4885USP30 4154/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GAA 4463/4885UCHL1 4197/4885USP30 4154/4885

“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.