SCHEMBL10115068

SCHEMBL10115068

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HDAC6 Q9UBN7 6/20 0.55
HPGD P15428 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 3/20 0.52
NPY5R Q15761 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.44
ABCC9 O60706 1/20 0.44

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
SCHEMBL10114989 0.90 HDAC6 (0.67) ALDH1A1HDAC6LMNAHDAC3HDAC4
SCHEMBL10113471 0.88 HDAC6 (0.61) ALDH1A1HDAC6HPGDRAB9ALMNA
SCHEMBL10115094 0.88 HDAC1 (0.58) ALDH1A1HDAC6RAB9ALMNAHDAC3
SCHEMBL10113512 0.88 HDAC1 (0.58) ALDH1A1HDAC6RAB9ALMNAHDAC3
SCHEMBL10113496 0.86 ALDH1A1 (0.52) ALDH1A1HDAC6LMNAKMT2AMEN1
SCHEMBL10113403 0.85 HDAC6 (0.59) ALDH1A1HDAC6LMNAL3MBTL1HDAC3
SCHEMBL10115023 0.85 HDAC6 (0.54) ALDH1A1HDAC6LMNAHDAC3HDAC4
SCHEMBL13565329 0.84 HPGD (0.48) ALDH1A1HPGDRAB9ALMNAL3MBTL1
SCHEMBL10115092 0.84 ALDH1A1 (0.58) ALDH1A1HDAC6LMNAHDAC3HDAC4
SCHEMBL10115026 0.84 ALDH1A1 (0.68) ALDH1A1HDAC6LMNAHDAC3HDAC4

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 ALDH1A1 4558/4885HDAC6 1853/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HDAC6 1602/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HDAC6 1849/4885HPGD 3476/4885

“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.