Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116159

SCHEMBL10116159

SCHEMBL10116159

Cc1cc(-c2ccco2)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.38
▸ PTPN7 P35236 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ GRIA2 P42262 3/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ GHSR Q92847 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ DUSP22 Q9NRW4 1/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ NPY5R Q15761 1/20 0.34

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
SCHEMBL10115827 0.88 GHSR (0.39) HCRTR2PTPN7TDP1TRIM24GHSR
SCHEMBL10116160 0.85 GSK3B (0.36) GSK3BDYRK1AGRIA2KCNH2MAPT
SCHEMBL10114948 0.81 CDK2 (0.40) HCRTR2GSK3BGRIA2KCNH2TRIM24
SCHEMBL14424387 0.76 GSK3A (0.45) HCRTR2GSK3BGRIA2RAB9ANPC1
SCHEMBL10114934 0.76 GSK3A (0.45) HCRTR2GSK3BGRIA2RAB9ANPC1
SCHEMBL13565442 0.75 GHSR (0.35) HCRTR2GRIA2KCNH2TRIM24GHSR
SCHEMBL10115832 0.73 FAAH (0.36) LMNARAB9ATHRBNPC1POLB
SCHEMBL10116116 0.72 NPY5R (0.51) PTPN7TDP1GRIA2MAPTDUSP3
SCHEMBL10116158 0.72 KMT2A (0.50) PTPN7TDP1GRIA2KCNH2TRIM24
SCHEMBL10116137 0.71 KMT2A (0.41) PTPN7TDP1MAPTRAB9ATHRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R HCRTR2 33/4885PTPN7 102/4885TDP1 4408/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HCRTR2 33/4885PTPN7 113/4885TDP1 4084/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HCRTR2 35/4885PTPN7 105/4885TDP1 4424/4885

“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.