SCHEMBL90992

SCHEMBL90992

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccc(OC(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.40
XDH P47989 1/20 0.40
PIM1 P11309 9/20 0.40
PDE10A Q9Y233 1/20 0.39
KIT P10721 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PIM2 Q9P1W9 2/20 0.37
FLT3 P36888 1/20 0.37
DHODH Q02127 2/20 0.37
ROCK2 O75116 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL90975 0.89 PLK1 (0.40) TYRO3KIT
SCHEMBL8527347 0.87 WDR5 (0.37) PIM1PIM2ROCK2
SCHEMBL91031 0.85 KDM1A (0.49) XDHPIM1KCNH2
SCHEMBL90997 0.84 NPY5R (0.35) FLT3ROCK2
SCHEMBL90906 0.83 HSD11B1 (0.39) PIM1KITFLT3ROCK2
SCHEMBL90986 0.81 LRRK2 (0.38) XDH
SCHEMBL71885 0.80 PIK3CD (0.43) FLT3ROCK2KCNH2
SCHEMBL90867 0.80 RIPK2 (0.37)
SCHEMBL90974 0.79 BRD4 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL311762 0.78 PLAT (0.48) TYRO3XDHPIM1PDE10APDE4A

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 TYRO3 211/4885XDH 1233/4885PIM1 2604/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TYRO3 211/4885XDH 1233/4885PIM1 2604/4885

“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.