Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114716

SCHEMBL10114716

SCHEMBL10114716

CC(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 4/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ NPY5R Q15761 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HCRTR1 O43613 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12882406 0.86 NPY5R (0.61) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL10114322 0.86 NPY5R (0.61) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL13204287 0.85 TSHR (0.58) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10114769 0.85 TSHR (0.58) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10114888 0.84 NPY5R (0.42) MAPTMEN1KMT2ANPY5RL3MBTL1
SCHEMBL14424640 0.84 NPY5R (0.42) MAPTMEN1KMT2ANPY5RL3MBTL1
SCHEMBL10133784 0.84 NPY5R (0.42) MAPTMEN1KMT2ANPY5RL3MBTL1
SCHEMBL10115874 0.82 MEN1 (0.58) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL10114847 0.80 NPY5R (0.49) MEN1KMT2ANPY5RALDH1A1TSHR
SCHEMBL14424629 0.80 NPY5R (0.49) MEN1KMT2ANPY5RALDH1A1TSHR

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 3602/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885MEN1 2926/4885KMT2A 2953/4885

“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.