Sugi Predict

Sugi Predict / Compounds / SCHEMBL10113048

SCHEMBL10113048

SCHEMBL10113048

CCCCc1ccc(C(=O)NCC2CCC(CN[S+]([O-])C(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.46
▸ MAPK14 Q16539 3/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.41
▸ TAOK3 Q9H2K8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CXCR3 P49682 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ESRRG P62508 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
SCHEMBL13564837 0.83 MEN1 (0.38) MEN1HPGDKMT2AHDAC6
SCHEMBL13972889 0.81 PLK1 (0.55) PLK1MAPK14TRPV1TAOK1TAOK3
SCHEMBL10113018 0.81 POLB (0.53) MEN1HPGDKMT2APOLBCA2
SCHEMBL10133078 0.81 POLB (0.53) MEN1HPGDKMT2APOLBCA2
SCHEMBL10113006 0.81 ESRRG (0.52) PLK1TRPV1MEN1ALDH1A1KMT2A
SCHEMBL13438602 0.81 SPHK1 (0.42) KDM4EALDH1A1HPGDPOLB
SCHEMBL13462788 0.81 SPHK1 (0.42) KDM4EALDH1A1HPGDPOLB
SCHEMBL10113053 0.79 PLK1 (0.47) PLK1MAPK14TRPV1TAOK1TAOK3
SCHEMBL10134398 0.79 PLK1 (0.47) PLK1MAPK14TRPV1TAOK1TAOK3
SCHEMBL10113056 0.79 PLK1 (0.47) PLK1MAPK14TRPV1TAOK1TAOK3

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 12 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-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 4759/4885MAPK14 1477/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4747/4885MAPK14 1392/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4755/4885MAPK14 1407/4885TRPV1 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.