Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114047

SCHEMBL10114047

SCHEMBL10114047

CC(C)S(=O)(=O)NC1CCC(C(=O)NCCSc2cc(C(F)(F)F)nc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ GFER P55789 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.37
▸ DRD2 P14416 6/20 0.37
▸ DRD3 P35462 4/20 0.37
▸ EPHX2 P34913 3/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL13203787 0.91 MAPT (0.57) MAPTGFERDRD2DRD3RXFP1
SCHEMBL10133713 0.91 MAPT (0.57) MAPTGFERDRD2DRD3RXFP1
SCHEMBL13565000 0.86 MAPT (0.58) MAPTTLR7GRIA2
SCHEMBL13052693 0.85 MAPT (0.54) MAPTGFERDRD2DRD3EPHX2
SCHEMBL10113816 0.78 MAPT (0.60) MAPTTLR7DRD2DRD3TP53
SCHEMBL17090301 0.78 MAPT (0.58) MAPTTLR7DRD2DRD3
SCHEMBL13564759 0.78 MAPT (0.58) MAPTTLR7DRD2DRD3
SCHEMBL13565506 0.74 MAPT (0.66) MAPTTLR7KCNH2
SCHEMBL10114089 0.73 MAPT (0.59) MAPTEPHX2TP53
SCHEMBL10114034 0.72 EPHX1 (0.46) MAPTGRIA2

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 MAPT 3602/4885GFER 1450/4885TLR7 217/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885GFER 1505/4885TLR7 196/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885GFER 1466/4885TLR7 221/4885

“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.