SCHEMBL10115822

SCHEMBL10115822

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.48
LMNA P02545 1/20 0.44
KIF18A Q8NI77 1/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
HCRTR1 O43613 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 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
SCHEMBL10114694 0.89 F10 (0.45) TP53LMNAKMT2A
SCHEMBL14424087 0.88 TP53 (0.49) TP53LMNAKIF18AMAPTPOLB
SCHEMBL10114607 0.88 TP53 (0.49) TP53LMNAKIF18AMAPTPOLB
SCHEMBL10116157 0.87 TP53 (0.48) TP53LMNAMAPTMEN1KMT2A
SCHEMBL10115577 0.81 MAPT (0.49) LMNAKIF18AMAPTMEN1KMT2A
SCHEMBL13439061 0.80 TP53 (0.41) TP53KIF18AMAPTPOLB
SCHEMBL11935338 0.80 TP53 (0.41) TP53KIF18AMAPTPOLB
SCHEMBL10115790 0.80 MEN1 (0.58) LMNAMAPTMEN1KMT2AUSP2
SCHEMBL10134483 0.79 LMNA (0.48) LMNAMAPTMEN1KMT2APOLB
SCHEMBL10115518 0.79 LMNA (0.48) LMNAMAPTMEN1KMT2APOLB

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 TP53 4449/4885LMNA 1925/4885KIF18A 4519/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885LMNA 2068/4885KIF18A 4554/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885LMNA 1857/4885KIF18A 4489/4885

“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.