SCHEMBL10134398

SCHEMBL10134398

CCCCc1ccc(C(=O)NCC2CCC(CNS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CA2 P00918 2/20 0.43
MAPK14 Q16539 3/20 0.43
CXCR3 P49682 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 1/20 0.41
MLYCD O95822 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 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
SCHEMBL10113053 1.00 PLK1 (0.47) PLK1POLBKDM4ECA2MAPK14
SCHEMBL10113056 1.00 PLK1 (0.47) PLK1POLBKDM4ECA2MAPK14
SCHEMBL17090119 0.84 NPY5R (0.41) POLBCA2MEN1HPGDKMT2A
SCHEMBL17090465 0.84 NPY5R (0.41) POLBCA2MEN1HPGDKMT2A
SCHEMBL13564848 0.84 NPY5R (0.41) POLBCA2MEN1HPGDKMT2A
SCHEMBL12864655 0.82 EPHX2 (0.53) PLK1POLBKDM4ECA2TRPV1
SCHEMBL13972889 0.82 PLK1 (0.55) PLK1POLBKDM4EMAPK14TRPV1
SCHEMBL13462787 0.81 CNR2 (0.47) POLBKDM4ECA2HPGDSMN1; SMN2
SCHEMBL13438600 0.81 CNR2 (0.47) POLBKDM4ECA2HPGDSMN1; SMN2
SCHEMBL10113020 0.81 POLB (0.59) POLBKDM4EMEN1ALDH1A1HPGD

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 8 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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 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-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-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 4759/4885POLB 4727/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4747/4885POLB 4751/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4755/4885POLB 4721/4885KDM4E 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.