SCHEMBL10134393

SCHEMBL10134393

CCCCc1ccc(C(=O)NC2CCC(N[S+]([O-])C(C)(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.48
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HPGD P15428 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
CA1 P00915 1/20 0.40
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10113045 1.00 PLK1 (0.48) PLK1TP53TRPV1HPGDCA12
SCHEMBL10113910 0.84 PLK1 (0.48) PLK1TP53TRPV1HPGDCA12
SCHEMBL12864600 0.80 PLK1 (0.57) PLK1TP53TRPV1HPGDCA12
SCHEMBL10113007 0.80 POLB (0.54) TP53HPGDCA12CA9EPHX1
SCHEMBL10113024 0.80 POLB (0.54) TP53HPGDCA12CA9EPHX1
SCHEMBL17090121 0.80 S1PR4 (0.41) HPGDKDM4E
SCHEMBL13564845 0.80 S1PR4 (0.41) HPGDKDM4E
SCHEMBL10112894 0.79 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL10133700 0.79 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL14418239 0.79 PLK1 (0.50) PLK1TP53TRPV1TSHRSLC6A5

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 4747/4885TP53 4417/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4755/4885TP53 4486/4885TRPV1 795/4885

“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.