Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116768

SCHEMBL10116768

SCHEMBL10116768

CC1CCCC(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)C1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ DEGS1 O15121 1/20 0.41
▸ GRIA4 P48058 7/20 0.40
▸ MAOA P21397 5/20 0.40
▸ KDM1A O60341 4/20 0.40
▸ RCOR1 Q9UKL0 4/20 0.40
▸ KDM1B Q8NB78 3/20 0.40
▸ GRIA2 P42262 2/20 0.40
▸ MAOB P27338 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL10116450 0.85 HDAC3 (0.44) HDAC3HDAC11HDAC8HDAC6KDM4E
SCHEMBL10116740 0.81 HDAC8 (0.64) HDAC3HDAC11HDAC8HDAC6KDM4E
SCHEMBL10116742 0.80 LMNA (0.43) KDM4ELMNAGRIA4GRIA2MEN1
SCHEMBL13565381 0.79 GRIA4 (0.41) GRIA4KDM1AGRIA2
SCHEMBL10116764 0.77 LMNA (0.47) HDAC3HDAC11HDAC8HDAC6KDM4E
SCHEMBL10114964 0.77 GRIA4 (0.44) LMNAGRIA4GRIA2MEN1KMT2A
SCHEMBL13204453 0.77 GRIA4 (0.44) LMNAGRIA4GRIA2MEN1KMT2A
SCHEMBL4606558 0.76 GRIA4 (0.60) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL4606652 0.76 GRIA4 (0.60) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL4607083 0.76 GRIA4 (0.60) HDAC3HDAC11HDAC8HDAC6DEGS1

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 HDAC3 664/4885HDAC11 1428/4885HDAC8 706/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC11 1213/4885HDAC8 634/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC11 1482/4885HDAC8 743/4885

“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.