Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116557

SCHEMBL10116557

SCHEMBL10116557

CC(C)c1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc2ccc(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ BRPF1 P55201 1/20 0.38
▸ ENPP3 O14638 2/20 0.38
▸ ENPP1 P22413 2/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ MAP1LC3A Q9H492 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR27 Q9NS67 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10116263 0.88 MEN1 (0.42) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL10116546 0.87 KDM4E (0.41) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL10116527 0.83 MEN1 (0.61) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL13566111 0.80 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1BRPF1
SCHEMBL13204916 0.77 KMT2A (0.51) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL10114824 0.75 ALDH1A1 (0.40) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL10115964 0.73 GSK3B (0.38) RAB9ANPC1KMT2ALMNAKDM4E
SCHEMBL10116261 0.72 MEN1 (0.40) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL10116617 0.72 GRIA2 (0.56) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL10116464 0.72 LMNA (0.76) RAB9ANPC1GAALMNAKDM4E

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 RAB9A 3699/4885NPC1 1435/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885MEN1 2926/4885

“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.