Sugi Predict

Sugi Predict / Compounds / SCHEMBL2879017

SCHEMBL2879017

SCHEMBL2879017

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](c2nc3nc(-c4ccccc4F)ncc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.36
▸ ALOX5AP P20292 10/20 0.35
▸ FEN1 P39748 9/20 0.35
▸ BTK Q06187 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SGK1 O00141 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 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
SCHEMBL2881783 1.00 NPY5R (0.36) NPY5RALOX5APFEN1BTKDHODH
SCHEMBL2879019 1.00 NPY5R (0.36) NPY5RALOX5APFEN1BTKDHODH
SCHEMBL2879015 0.87 ALOX5AP (0.37) NPY5RALOX5APFEN1DHODHSGK1
SCHEMBL2881781 0.87 ALOX5AP (0.37) NPY5RALOX5APFEN1DHODHSGK1
SCHEMBL2879071 0.87 HTR2B (0.39) NPY5RALDH1A1POLBMAPTHPGD
SCHEMBL2884478 0.87 HTR2B (0.39) NPY5RALDH1A1POLBMAPTHPGD
SCHEMBL2879075 0.87 HTR2B (0.39) NPY5RALDH1A1POLBMAPTHPGD
SCHEMBL2879013 0.85 NPY5R (0.37) NPY5RBTKSGK1
SCHEMBL2879517 0.85 NPY5R (0.37) NPY5RBTKSGK1
SCHEMBL2879012 0.85 NPY5R (0.37) NPY5RBTKSGK1

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 10 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
CN-100567270-C Sulfone amide derivative BANYU PHARMA CO LTD (JP) 2009-12-09 — — CN claimed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 — — US claimed
CN-1922155-A Novel Sulfonamide Derivatives BANYU PHARMA CO LTD (JP) 2007-02-28 — — CN 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
CN-100567270-C Sulfone amide derivative BANYU PHARMA CO LTD (JP) 2009-12-09 — — CN disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 — — US disclosed
CN-1922155-A Novel Sulfonamide Derivatives BANYU PHARMA CO LTD (JP) 2007-02-28 — — CN 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 NPY5R 3/4885ALOX5AP 1403/4885FEN1 4745/4885

“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.