SCHEMBL8547726

SCHEMBL8547726

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccc(F)c(C#N)c3)n[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
DRD4 P21917 1/20 0.38
USP30 Q70CQ3 8/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
SGK1 O00141 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PGR P06401 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL91006 0.87 MKNK1 (0.40) MKNK1MKNK2DRD4USP30JAK2
SCHEMBL91000 0.86 GRIA2 (0.44) MKNK1MKNK2DRD4USP30JAK2
SCHEMBL90939 0.85 USP30 (0.52) MKNK1MKNK2DRD4USP30MEN1
SCHEMBL91023 0.84 MKNK1 (0.57) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL91001 0.82 USP30 (0.54) USP30MEN1KMT2APOLB
SCHEMBL8594304 0.82 MKNK1 (0.40) MKNK1MKNK2USP30MEN1KMT2A
SCHEMBL91004 0.81 DRD4 (0.57) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL8576803 0.81 SCN9A (0.38) USP30MEN1KMT2APGRHTT
SCHEMBL90995 0.81 MEN1 (0.46) MKNK1MKNK2DRD4USP30MEN1
SCHEMBL90870 0.79 DRD4 (0.48) MKNK1MKNK2DRD4USP30MEN1

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 MKNK1 3443/4885MKNK2 2861/4885DRD4 577/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MKNK1 3443/4885MKNK2 2861/4885DRD4 577/4885

“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.