SCHEMBL2879075

SCHEMBL2879075

CC(C)(C)S(=O)(=O)NC1CCC(c2nc3nc(-c4ccccc4)ncc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.39
ADORA1 P30542 8/20 0.39
ADORA3 P0DMS8 6/20 0.39
ADORA2A P29274 3/20 0.39
NPY5R Q15761 1/20 0.36
HPGDS O60760 2/20 0.35
ADORA2B P29275 2/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL2879071 1.00 HTR2B (0.39) HTR2BADORA1ADORA3ADORA2ANPY5R
SCHEMBL2884478 1.00 HTR2B (0.39) HTR2BADORA1ADORA3ADORA2ANPY5R
SCHEMBL2879012 0.90 NPY5R (0.37) NPY5RBRD4
SCHEMBL2879013 0.90 NPY5R (0.37) NPY5RBRD4
SCHEMBL2879517 0.90 NPY5R (0.37) NPY5RBRD4
SCHEMBL2879017 0.87 NPY5R (0.36) NPY5RALDH1A1POLBMAPTHPGD
SCHEMBL2879019 0.87 NPY5R (0.36) NPY5RALDH1A1POLBMAPTHPGD
SCHEMBL2881783 0.87 NPY5R (0.36) NPY5RALDH1A1POLBMAPTHPGD
SCHEMBL2884475 0.85 HTR2B (0.40) HTR2BADORA1ADORA2ANPY5RHPGDS
SCHEMBL2879069 0.85 HTR2B (0.40) HTR2BADORA1ADORA2ANPY5RHPGDS

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-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US claimed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US claimed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP claimed
US-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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 (1 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-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R HTR2B 112/4885ADORA1 899/4885ADORA3 1606/4885

“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.