SCHEMBL8526567

SCHEMBL8526567

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3c(-c4ccccn4)cccc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
SMO Q99835 4/20 0.35
CDK9 P50750 8/20 0.34
CCNT1 O60563 6/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
EDNRA P25101 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
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 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
SCHEMBL90942 0.89 PDK2 (0.38) PDK2PDK4IKBKBCHUKSMO
SCHEMBL90996 0.86 GRIA2 (0.43) PDK2PDK4IKBKBCHUKCDK9
SCHEMBL90850 0.85 PDK2 (0.43) PDK2PDK4SMOCDK9BRD4
SCHEMBL8596030 0.84 PDK2 (0.39) PDK2PDK4IKBKBCHUKSMO
SCHEMBL8554483 0.82 PDK2 (0.37) PDK2PDK4SMONPY5R
SCHEMBL90897 0.81 ABL1 (0.36) PDK2PDK4IKBKBCHUKSMO
SCHEMBL90911 0.81 SMO (0.36) PDK2PDK4SMONPY5R
SCHEMBL8572135 0.81 NPY5R (0.36) PDK2PDK4IKBKBCHUKSMO
SCHEMBL8554397 0.79 DAO (0.36) IKBKBCHUKCDK9CCNT1FLT3
SCHEMBL91025 0.78 IKBKB (0.39) IKBKBCHUKCDK9CCNT1BRD4

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 3276/4885IKBKB 2117/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PDK2 3734/4885PDK4 3276/4885IKBKB 2117/4885

“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.