Sugi Predict

Sugi Predict / Compounds / SCHEMBL70398

SCHEMBL70398

SCHEMBL70398

COc1ccccc1-c1nc([C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)[nH]c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KIT P10721 6/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ FASN P49327 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL71006 0.90 CDK9 (0.42) KCNH2KITNPY5RFASN
SCHEMBL71894 0.84 KIT (0.40) KITNPY5R
SCHEMBL90952 0.83 KIT (0.51) HPGDKDM4ENPSR1KITNPY5R
SCHEMBL70666 0.83 KIT (0.42) HPGDHTTKITNPY5RALDH1A1
SCHEMBL91026 0.83 KIT (0.42) KITNPY5RFASN
SCHEMBL71900 0.81 KIT (0.51) HPGDKDM4EKITHSD17B10MAPT
SCHEMBL69782 0.78 NPY5R (0.39) LMNAHTTKITNPY5RCYP1A2
SCHEMBL71325 0.76 KIT (0.49) KITNPY5RFASN
SCHEMBL71049 0.75 KIT (0.47) KITFASN
SCHEMBL90977 0.73 MEN1 (0.45) AGERCYP3A4KCNH2HPGDKDM4E

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 AGER 2984/4885CYP3A4 2582/4885KCNH2 600/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R AGER 2984/4885CYP3A4 2582/4885KCNH2 600/4885

“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.