SCHEMBL10113835

SCHEMBL10113835

CCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CNR1 P21554 3/20 0.45
CNR2 P34972 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL10113563 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13565879 0.85 GRIA1 (0.42) CNR2LMNA
SCHEMBL10113763 0.85 L3MBTL1 (0.58) ALDH1A1CYP2D6CYP2C19CNR1CA1
SCHEMBL13972724 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10113883 0.83 GAA (0.46) ALDH1A1LMNAKMT2AHDAC6GAA
SCHEMBL10113837 0.82 SMN1; SMN2 (0.48) ALDH1A1CA1CA2LMNAMEN1
SCHEMBL10113825 0.82 THRB (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10134489 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10115378 0.81 NPC1 (0.56) ALDH1A1CYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL10113836 0.80 CNR2 (0.47) ALDH1A1CNR1CNR2LMNAMEN1

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 4558/4885CYP1A2 1092/4885CYP2D6 1239/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885CYP1A2 1230/4885CYP2D6 1435/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885CYP1A2 1051/4885CYP2D6 1164/4885

“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.