Sugi Predict

Sugi Predict / Compounds / SCHEMBL69782

SCHEMBL69782

SCHEMBL69782

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccnc3)c(C(F)(F)F)[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.39
▸ KIT P10721 7/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CCR6 P51684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 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
SCHEMBL71894 0.89 KIT (0.40) NPY5RKIT
SCHEMBL71900 0.82 KIT (0.51) KITMAPK1
SCHEMBL90952 0.82 KIT (0.51) NPY5RKITALDH1A1TP53SMN1; SMN2
SCHEMBL71049 0.81 KIT (0.47) KITCCR6
SCHEMBL71325 0.81 KIT (0.49) NPY5RKIT
SCHEMBL71885 0.79 PIK3CD (0.43) NPY5RPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL70398 0.78 AGER (0.39) NPY5RKITCYP1A2ALDH1A1LMNA
SCHEMBL70666 0.78 KIT (0.42) NPY5RKITGAAALDH1A1HTT
SCHEMBL70995 0.75 KIT (0.43) NPY5RKITHTR2B
SCHEMBL90941 0.74 KIT (0.36) NPY5RKITHTR2B

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 6 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-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
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 NPY5R 1/4885KIT 1375/4885PIK3CD 3763/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885KIT 1375/4885PIK3CD 3763/4885

“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.