SCHEMBL90952

SCHEMBL90952

COc1ccc(-c2nc([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 14/20 0.51
RIPK2 O43353 1/20 0.39
NPY5R Q15761 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK13 O15264 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL71900 0.89 KIT (0.51) KITADORA1MAPK13MAPK9MAPK12
SCHEMBL71894 0.88 KIT (0.40) KITNPY5RADORA3ADORA1
SCHEMBL91026 0.86 KIT (0.42) KITRIPK2NPY5R
SCHEMBL70666 0.86 KIT (0.42) KITNPY5RALDH1A1HPGD
SCHEMBL71325 0.85 KIT (0.49) KITNPY5R
SCHEMBL70398 0.83 AGER (0.39) KITNPY5RKDM4EUSP2ALDH1A1
SCHEMBL69782 0.82 NPY5R (0.39) KITNPY5RHTR2BALDH1A1TP53
SCHEMBL71006 0.81 CDK9 (0.42) KITNPY5R
SCHEMBL71049 0.79 KIT (0.47) KITADORA1
SCHEMBL90867 0.78 RIPK2 (0.37) RIPK2NPY5RKDM4EUSP2ALDH1A1

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 KIT 1375/4885RIPK2 3853/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KIT 1375/4885RIPK2 3853/4885NPY5R 1/4885

“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.