Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115314

SCHEMBL10115314

SCHEMBL10115314

CC1CCc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KCNA5 P22460 2/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTR1D P28221 7/20 0.37
▸ HTR1B P28222 7/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37

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
SCHEMBL10115059 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKCNA5MTNR1AHDAC6
SCHEMBL10115446 0.84 ALDH1A1 (0.43) ALDH1A1LMNAHTR1AHDAC6ALOX15
SCHEMBL13564953 0.84 NPY5R (0.43) MTNR1AHTR1A
SCHEMBL10113895 0.82 MAPK1 (0.52) ALDH1A1LMNATP53ALOX15
SCHEMBL10115416 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHTR1APSEN1PSEN2
SCHEMBL10115370 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHTR1AHDAC6CA1
SCHEMBL10115400 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTR1APSEN1PSEN2
SCHEMBL10115418 0.79 PSEN1 (0.46) ALDH1A1LMNAHTR1APSEN1PSEN2
SCHEMBL14424069 0.78 HDAC6 (0.46) ALDH1A1LMNAHTR1AHDAC6
SCHEMBL10113818 0.77 BAZ2B (0.44) ALDH1A1LMNAHTR1AHDAC6

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 ALDH1A1 4558/4885LMNA 1925/4885KCNA5 566/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885KCNA5 520/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885KCNA5 529/4885

“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.