SCHEMBL91035

SCHEMBL91035

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(C#N)c3)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.43
MAP2K4 P45985 3/20 0.39
TRPA1 O75762 2/20 0.37
MAPK1 P28482 1/20 0.36
CCR6 P51684 1/20 0.36
LCAT P04180 1/20 0.35
ADORA2A P29274 1/20 0.35
SRC P12931 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 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
SCHEMBL90940 0.87 GRIA2 (0.45) USP30MAP2K4MAPK1
SCHEMBL90979 0.85 USP30 (0.41) USP30MAP2K4CDK2
SCHEMBL90968 0.84 MAP2K4 (0.40) USP30MAP2K4CCNA2CDK2
SCHEMBL90927 0.83 MAP2K4 (0.43) USP30MAP2K4ADORA2ACCNA2CDK2
SCHEMBL91001 0.81 USP30 (0.54) USP30SRCCCNA2CDK2GSK3B
SCHEMBL8576816 0.79 GRM5 (0.46) MAP2K4ADORA2A
SCHEMBL71049 0.78 KIT (0.47) USP30TRPA1CCR6ADORA2A
SCHEMBL90925 0.78 MAP2K4 (0.46) MAP2K4CCNA2CDK2GSK3B
SCHEMBL90932 0.78 MAP2K4 (0.46) MAP2K4CCNA2CDK2
SCHEMBL91008 0.77 MAP2K4 (0.41) MAP2K4ADORA2A

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 4154/4885MAP2K4 419/4885TRPA1 742/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP30 4154/4885MAP2K4 419/4885TRPA1 742/4885

“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.