Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114657

SCHEMBL10114657

SCHEMBL10114657

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 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
SCHEMBL10115212 0.94 ALDH1A1 (0.41) HRH3ALDH1A1L3MBTL1LMNAHDAC6
SCHEMBL10115257 0.91 MEN1 (0.47) HRH3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL10115146 0.90 ALDH1A1 (0.47) HRH3ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL10114706 0.86 HRH3 (0.49) HRH3ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL10115191 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAHDAC6MEN1
SCHEMBL13565436 0.84 CTSL (0.40) HRH3SMN1; SMN2
SCHEMBL10115194 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAHDAC6MEN1
SCHEMBL10113511 0.81 L3MBTL1 (0.68) ALDH1A1L3MBTL1LMNAMAPTHDAC6
SCHEMBL10115143 0.81 MEN1 (0.45) ALDH1A1L3MBTL1LMNAHDAC6MEN1
SCHEMBL10115478 0.80 HRH3 (0.43) HRH3ALDH1A1L3MBTL1LMNAMAPT

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 HRH3 417/4885ALDH1A1 4558/4885L3MBTL1 3267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885ALDH1A1 4599/4885L3MBTL1 2541/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885ALDH1A1 4517/4885L3MBTL1 3389/4885

“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.