SCHEMBL90968

SCHEMBL90968

COc1cccc(-c2n[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.40
GAA P10253 1/20 0.40
FYN P06241 1/20 0.39
PLK1 P53350 1/20 0.39
USP30 Q70CQ3 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
NOTUM Q6P988 1/20 0.36
TTK P33981 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
DHODH Q02127 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL90979 0.86 USP30 (0.41) MAP2K4USP30CDK2
SCHEMBL91035 0.84 USP30 (0.43) MAP2K4USP30CCNA2CDK2
SCHEMBL90872 0.81 PLK1 (0.48) PLK1USP30MAPTSMN1; SMN2TP53
SCHEMBL90932 0.79 MAP2K4 (0.46) MAP2K4CCNA2CDK2CCNA1
SCHEMBL90925 0.79 MAP2K4 (0.46) MAP2K4CCNA2CDK2CCNA1
SCHEMBL71900 0.78 KIT (0.51) MAPTDHODH
SCHEMBL90927 0.77 MAP2K4 (0.43) MAP2K4USP30LRRK2CCNA2CDK2
SCHEMBL90975 0.76 PLK1 (0.40) PLK1MAPTSMN1; SMN2TP53
SCHEMBL90926 0.75 MAP2K4 (0.47) MAP2K4USP30
SCHEMBL90950 0.74 DRD2 (0.50) MAP2K4CDK2

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 MAP2K4 419/4885GAA 4463/4885FYN 380/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAP2K4 419/4885GAA 4463/4885FYN 380/4885

“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.