SCHEMBL10133291

SCHEMBL10133291

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
CCR8 P51685 2/20 0.46
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
CA1 P00915 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
NPC1 O15118 1/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
ESRRG P62508 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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 1.00 PLK1 (0.49) PLK1CCR8HPGDKDM4ELMNA
SCHEMBL10113909 0.84 PLK1 (0.49) PLK1CCR8HPGDKDM4ELMNA
SCHEMBL12864600 0.81 PLK1 (0.57) PLK1HPGDCA12CA9TP53
SCHEMBL13564846 0.81 S1PR4 (0.44) CCR8HPGDKDM4ENPC1RAB9A
SCHEMBL17090118 0.81 S1PR4 (0.44) CCR8HPGDKDM4ENPC1RAB9A
SCHEMBL10112894 0.80 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL10133700 0.80 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL10112890 0.80 PLK1 (0.50) PLK1TP53TRPV1TSHRSLC6A5
SCHEMBL14418239 0.80 PLK1 (0.50) PLK1TP53TRPV1TSHRSLC6A5
SCHEMBL10113010 0.80 POLB (0.61) HPGDKDM4ELMNACA12CA9

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 5 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4747/4885CCR8 394/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4755/4885CCR8 484/4885HPGD 3476/4885

“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.