SCHEMBL16300070

SCHEMBL16300070

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2ccc(-c3ccccc3)c(=O)[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
PARG Q86W56 2/20 0.34
IDH2 P48735 4/20 0.34
BRD4 O60885 2/20 0.32
CDK2 P24941 1/20 0.31
ALDH1A1 P00352 1/20 0.31
USP30 Q70CQ3 2/20 0.31
UCHL1 P09936 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
IKBKB O14920 2/20 0.31
CHUK O15111 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16300069 0.81 YTHDF3 (0.35) NPY5RPARGIDH2BRD4
SCHEMBL8552097 0.78 GAA (0.36) NPY5RIDH2CDK2ALDH1A1USP30
SCHEMBL90870 0.75 DRD4 (0.48) CDK2USP30
SCHEMBL70995 0.71 KIT (0.43) NPY5R
SCHEMBL90951 0.71 GAA (0.36) NPY5RIDH2ALDH1A1USP30UCHL1
SCHEMBL90941 0.70 KIT (0.36) NPY5R
SCHEMBL69646 0.70 KIT (0.35) NPY5R
SCHEMBL90944 0.70 USP30 (0.44) NPY5RUSP30PDK2
SCHEMBL90997 0.70 NPY5R (0.35) NPY5RBRD4CDK2
SCHEMBL90950 0.69 DRD2 (0.50) NPY5RBRD4CDK2KDM4E

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 NPY5R 1/4885PARG 4198/4885IDH2 3870/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885PARG 4198/4885IDH2 3870/4885

“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.