SCHEMBL10113909

SCHEMBL10113909

CCCCc1ccc(C(=O)NC2CCC(NS(=O)(=O)C(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
TP53 P04637 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
CCR8 P51685 2/20 0.44
CA1 P00915 1/20 0.43
NPC1 O15118 1/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
SLC2A1 P11166 1/20 0.42
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 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
SCHEMBL10113046 0.84 PLK1 (0.49) PLK1HPGDKDM4ELMNACA12
SCHEMBL10133291 0.84 PLK1 (0.49) PLK1HPGDKDM4ELMNACA12
SCHEMBL12864600 0.81 PLK1 (0.57) PLK1HPGDCA12CA9TP53
SCHEMBL13564833 0.81 S1PR4 (0.44) HPGDKDM4ENPC1RAB9AKMT2A
SCHEMBL10133700 0.80 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL10112894 0.80 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL10112984 0.80 POLB (0.61) HPGDKDM4ELMNACA12CA9
SCHEMBL10113994 0.80 POLB (0.45) HPGDLMNAKMT2AEPHX2
SCHEMBL13565060 0.79 KDM4E (0.41) KDM4ENPC1RAB9AKMT2A
SCHEMBL10113910 0.78 PLK1 (0.48) PLK1HPGDKDM4ECA12CA9

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 PLK1 4759/4885HPGD 3487/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4747/4885HPGD 3475/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4755/4885HPGD 3476/4885KDM4E 1653/4885

“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.