SCHEMBL8554483

SCHEMBL8554483

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(F)c(-c4ccccn4)cc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
SMO Q99835 5/20 0.37
NTRK1 P04629 5/20 0.34
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
NPY5R Q15761 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32

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
SCHEMBL90897 0.84 ABL1 (0.36) PDK2PDK4SMONPY5R
SCHEMBL8572135 0.84 NPY5R (0.36) PDK2PDK4SMONPY5R
SCHEMBL90850 0.83 PDK2 (0.43) PDK2PDK4SMONPY5RAXL
SCHEMBL8526567 0.82 PDK2 (0.41) PDK2PDK4SMONPY5R
SCHEMBL8596030 0.82 PDK2 (0.39) PDK2PDK4SMONPY5R
SCHEMBL90942 0.81 PDK2 (0.38) PDK2PDK4SMONPY5R
SCHEMBL90911 0.80 SMO (0.36) PDK2PDK4SMONPY5R
SCHEMBL91022 0.79 SMO (0.37) PDK2PDK4SMONPY5RAXL
SCHEMBL90916 0.77 IKBKB (0.36) NPY5R
SCHEMBL90921 0.77 SMO (0.37) PDK2PDK4SMONPY5R

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 PDK2 3734/4885PDK4 3276/4885SMO 1772/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PDK2 3734/4885PDK4 3276/4885SMO 1772/4885

“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.