SCHEMBL10113876

SCHEMBL10113876

CCCCOc1ccc(NNC(=O)CCCCNS(=O)(=O)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10113763 0.89 L3MBTL1 (0.58) GAAL3MBTL1LMNAALDH1A1MEN1
SCHEMBL10113878 0.87 L3MBTL1 (0.50) L3MBTL1LMNAALDH1A1MEN1PKM
SCHEMBL10113611 0.84 GAA (0.45) GAAL3MBTL1LMNAALDH1A1MEN1
SCHEMBL13565535 0.82 GRIA1 (0.47) LMNAALDH1A1MEN1KMT2AMMP1
SCHEMBL10113179 0.80 L3MBTL1 (0.56) GAAL3MBTL1LMNAALDH1A1MEN1
SCHEMBL13564793 0.80 GRIA1 (0.50) LMNAMMP1ADAMTS4MMP2MMP13
SCHEMBL10113825 0.80 THRB (0.53) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL10113836 0.80 CNR2 (0.47) LMNAALDH1A1MEN1PKMKMT2A
SCHEMBL10113837 0.78 SMN1; SMN2 (0.48) GAAL3MBTL1LMNAALDH1A1MEN1
SCHEMBL10113835 0.77 ALDH1A1 (0.47) GAAL3MBTL1LMNAALDH1A1MEN1

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 GAA 3448/4885L3MBTL1 3267/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885L3MBTL1 2541/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885L3MBTL1 3389/4885LMNA 1857/4885

“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.