Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115255

SCHEMBL10115255

SCHEMBL10115255

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cc(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SHMT2 P34897 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GRIA1 P42261 3/20 0.34
▸ MAPK1 P28482 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
SCHEMBL10115306 0.89 GAA (0.41) HDAC6GAAUSP2HTR1ATP53
SCHEMBL10115332 0.88 TP53 (0.42) GAAUSP2HTR1ATP53ALOX15
SCHEMBL10115055 0.86 HDAC6 (0.39) HDAC6GAAUSP2TP53ALOX15
SCHEMBL13565630 0.86 GRIA1 (0.41) HDAC6HTR1AGRIA1
SCHEMBL10134140 0.84 HDAC6 (0.37) HDAC6GAAUSP2HTR1ATP53
SCHEMBL10115239 0.84 HDAC6 (0.37) HDAC6GAAUSP2HTR1ATP53
SCHEMBL10113352 0.83 MAPT (0.48) HDAC6GAAUSP2HTR1ATP53
SCHEMBL10133367 0.83 MAPT (0.48) HDAC6GAAUSP2HTR1ATP53
SCHEMBL10115381 0.83 MAPT (0.48) HDAC6GAAUSP2HTR1ATP53
SCHEMBL10113727 0.83 MAPT (0.48) HDAC6GAAUSP2HTR1ATP53

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 HDAC6 1853/4885GAA 3448/4885USP2 3137/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885GAA 3316/4885USP2 3680/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885GAA 3472/4885USP2 3174/4885

“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.