SCHEMBL8554397

SCHEMBL8554397

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPY5R Q15761 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PARG Q86W56 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
FLT3 P36888 2/20 0.33
PGR P06401 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 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
SCHEMBL8577264 0.83 NPY5R (0.34) NPY5RPTGDRPTGDR2PGRIKBKB
SCHEMBL91025 0.82 IKBKB (0.39) NPY5RPTGDRPTGDR2CCNT1CDK9
SCHEMBL23714682 0.80 DAO (0.47) DAOALDH1A1HRH4PYGLPYGM
SCHEMBL8526567 0.79 PDK2 (0.41) NPY5RCCNT1CDK9FLT3IKBKB
SCHEMBL90847 0.78 PARP14 (0.36) CCNT1CDK9IKBKBCHUK
SCHEMBL90914 0.76 NPY5R (0.34) ALDH1A1NPY5RCDK9FLT3PGR
SCHEMBL90918 0.74 NPY5R (0.36) ALDH1A1NPY5RPYGLCDK9FLT3
SCHEMBL90871 0.73 KMT2A (0.44) ALDH1A1L3MBTL1
SCHEMBL90852 0.73 BRD4 (0.35) L3MBTL1NPY5RIKBKBCHUK
SCHEMBL90907 0.72 NPY5R (0.38) NPY5RCCNT1CDK9IKBKBCHUK

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 DAO 2188/4885ALDH1A1 4801/4885L3MBTL1 2418/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DAO 2188/4885ALDH1A1 4801/4885L3MBTL1 2418/4885

“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.