Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115007

SCHEMBL10115007

SCHEMBL10115007

Cc1cc(-c2ncco2)ccc1NC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)C(C)C)C(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ GRIA2 P42262 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL13204440 0.87 GRIA2 (0.42) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL10114994 0.87 GRIA2 (0.42) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL10114948 0.84 CDK2 (0.40) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL13565470 0.82 TTK (0.34) SMN1; SMN2KDM4EALDH1A1PKMHPGD
SCHEMBL10116160 0.82 GSK3B (0.36) FAAHEPHX2SMN1; SMN2KDM4EALDH1A1
SCHEMBL10116153 0.77 GRIA2 (0.39) FAAHEPHX2GRIA2KMT2ARAB9A
SCHEMBL10114567 0.72 FAAH (0.55) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL14424347 0.72 FAAH (0.55) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL10116739 0.72 MAPT (0.43) SMN1; SMN2KDM4EALDH1A1PKMHPGD
SCHEMBL17090429 0.71 GRIA2 (0.41) GRIA2

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 FAAH 974/4885EPHX2 2158/4885ADORA2A 1321/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R FAAH 994/4885EPHX2 2527/4885ADORA2A 1330/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R FAAH 974/4885EPHX2 2306/4885ADORA2A 1307/4885

“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.