SCHEMBL91001

SCHEMBL91001

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cccc(C#N)c3)n[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.54
SRC P12931 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL90939 0.89 USP30 (0.52) USP30SRCCCNA2CDK2GSK3B
SCHEMBL8594304 0.85 MKNK1 (0.40) USP30SRCCCNA2CDK2GSK3B
SCHEMBL90870 0.85 DRD4 (0.48) USP30CCNA2CDK2GSK3BMEN1
SCHEMBL90995 0.85 MEN1 (0.46) USP30CCNA2CDK2MEN1POLB
SCHEMBL91037 0.85 DRD4 (0.44) USP30CCNA2CDK2MEN1POLB
SCHEMBL90986 0.83 LRRK2 (0.38) USP30
SCHEMBL90872 0.83 PLK1 (0.48) USP30CCNA2CDK2GSK3BMEN1
SCHEMBL8547726 0.82 MKNK1 (0.39) USP30MEN1POLBKMT2A
SCHEMBL90983 0.81 DRD2 (0.50) USP30MEN1POLBKMT2A
SCHEMBL91035 0.81 USP30 (0.43) USP30SRCCCNA2CDK2GSK3B

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 USP30 4154/4885SRC 345/4885CCNA2 2962/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP30 4154/4885SRC 345/4885CCNA2 2962/4885

“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.