Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116764

SCHEMBL10116764

SCHEMBL10116764

CC1CC(C)CC(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ DEGS1 O15121 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ KDM1B Q8NB78 2/20 0.43
▸ RCOR1 Q9UKL0 2/20 0.43
▸ GRIA4 P48058 2/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10116740 0.84 HDAC8 (0.64) LMNAKDM4EHDAC3HDAC11HDAC8
SCHEMBL10116447 0.83 HDAC3 (0.47) LMNAKDM4EHDAC3HDAC11HDAC8
SCHEMBL13204906 0.81 MAPT (0.46) LMNAKDM4EKDM1AMAOAKDM1B
SCHEMBL10134536 0.81 MAPT (0.46) LMNAKDM4EKDM1AMAOAKDM1B
SCHEMBL10116495 0.81 MAPT (0.46) LMNAKDM4EKDM1AMAOAKDM1B
SCHEMBL13204910 0.81 MAPT (0.46) LMNAKDM4EKDM1AMAOAKDM1B
SCHEMBL10116497 0.81 MAPT (0.46) LMNAKDM4EKDM1AMAOAKDM1B
SCHEMBL10116458 0.78 GRIA4 (0.60) LMNAKDM4EHDAC8HDAC6GRIA4
SCHEMBL10116526 0.78 KDM4E (0.74) LMNAKDM4EGRIA4GRIA2MEN1
SCHEMBL10116460 0.78 NPC1 (0.67) LMNAKDM4EGRIA4GRIA2MEN1

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 LMNA 1925/4885KDM4E 1668/4885HDAC3 664/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885KDM4E 1627/4885HDAC3 489/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885KDM4E 1653/4885HDAC3 669/4885

“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.