SCHEMBL90850

SCHEMBL90850

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cccc(-c4ccccn4)c3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
SMO Q99835 7/20 0.36
MERTK Q12866 2/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
EDNRA P25101 1/20 0.34
NPY5R Q15761 1/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL8526567 0.85 PDK2 (0.41) PDK2PDK4SMOBRD4ATAD2
SCHEMBL8596030 0.85 PDK2 (0.39) PDK2PDK4SMOBRD4ATAD2
SCHEMBL8554483 0.83 PDK2 (0.37) PDK2PDK4SMOMERTKAXL
SCHEMBL91022 0.82 SMO (0.37) PDK2PDK4SMOAXLNPY5R
SCHEMBL8572135 0.82 NPY5R (0.36) PDK2PDK4SMOBRD4NPY5R
SCHEMBL90897 0.82 ABL1 (0.36) PDK2PDK4SMOBRD4NPY5R
SCHEMBL90942 0.80 PDK2 (0.38) PDK2PDK4SMOBRD4ATAD2
SCHEMBL90911 0.80 SMO (0.36) PDK2PDK4SMOALDH1A1LMNA
SCHEMBL90921 0.80 SMO (0.37) PDK2PDK4SMOALDH1A1LMNA
SCHEMBL90860 0.78 CCR6 (0.37) PDK2PDK4SMOAXLNPY5R

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.