Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115634

SCHEMBL10115634

SCHEMBL10115634

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ HPGD P15428 4/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ MAPK1 P28482 2/20 0.52
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL10115623 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10115980 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL12882930 0.85 LMNA (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL12882645 0.83 POLB (0.53) ALDH1A1HPGDMAPK1KMT2AMEN1
SCHEMBL12882644 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPK1KMT2A
SCHEMBL14418587 0.82 LMNA (0.44) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL12882650 0.80 PANK3 (0.44) ALDH1A1HPGDMAPK1KMT2AMEN1
SCHEMBL10115841 0.80 TRPV1 (0.43) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL10115527 0.78 LMNA (0.66) KDM4EKMT2ANPSR1LMNAMAPT
SCHEMBL10115786 0.78 KMT2A (0.55) ALDH1A1KDM4EKMT2AMEN1NPSR1

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 4558/4885KDM4E 1668/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885HPGD 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.