Sugi Predict

Sugi Predict / Compounds / SCHEMBL10113822

SCHEMBL10113822

SCHEMBL10113822

CCOc1cccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ HDAC6 Q9UBN7 5/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC4 P56524 4/20 0.47
▸ MEF2D Q14814 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HDAC3 O15379 4/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46

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
SCHEMBL10113825 0.92 THRB (0.53) HTTCASP3ALDH1A1HDAC6MEN1
SCHEMBL10113853 0.89 MAPK1 (0.49) HTTNPC1RAB9AALDH1A1HDAC6
SCHEMBL10113833 0.89 ALDH1A1 (0.47) NPC1RAB9AALDH1A1HDAC6MEN1
SCHEMBL12882395 0.89 ALDH1A1 (0.46) HTTALDH1A1HDAC6MEN1KMT2A
SCHEMBL10113861 0.89 KMT2A (0.51) NPC1RAB9AALDH1A1HDAC6MEN1
SCHEMBL12882396 0.88 HTT (0.48) HTTHSD17B10ALDH1A1HDAC6MEN1
SCHEMBL10113783 0.87 HDAC2 (0.61) HTTRAB9AALDH1A1HDAC6HDAC4
SCHEMBL10115450 0.87 NR1H4 (0.46) ALDH1A1HDAC6MEN1KMT2AHDAC4
SCHEMBL10113856 0.87 ALDH1A1 (0.47) HTTNPC1RAB9AALDH1A1HDAC6
SCHEMBL10113557 0.85 HTT (0.52) HTTHSD17B10CASP3NPC1RAB9A

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 HTT 2081/4885HSD17B10 1161/4885CASP3 3162/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 1904/4885HSD17B10 1102/4885CASP3 2857/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885HSD17B10 1002/4885CASP3 3198/4885

“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.