Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116379

SCHEMBL10116379

SCHEMBL10116379

CC1CCC(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)C(C2CCCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ PANK3 Q9H999 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MLYCD O95822 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL10114525 0.88 HTT (0.46) HTTPANK3ALDH1A1MAPTALOX12
SCHEMBL13565800 0.80 EPHX2 (0.32) EPHX2
SCHEMBL10116358 0.79 HTT (0.50) HTTPANK3TRPV1ALDH1A1MAPT
SCHEMBL10114519 0.78 KMT2A (0.60) ALDH1A1MAPTALOX12KMT2ANPC1
SCHEMBL10116359 0.77 NPC1 (0.55) KMT2ANPC1RAB9ACA12CA9
SCHEMBL10116374 0.74 KMT2A (0.55) ALDH1A1MAPTALOX12KMT2ANPC1
SCHEMBL10114516 0.74 KMT2A (0.50) HTTPANK3MAPTALOX12KMT2A
SCHEMBL10116656 0.73 HTT (0.46) HTTPANK3ALDH1A1MAPTALOX12
SCHEMBL13566054 0.70 HPGD (0.51) ALDH1A1MAPTALOX12KMT2ANPC1
SCHEMBL10116418 0.70 HDAC8 (0.64) ALDH1A1MAPTSMN1; SMN2

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 HTT 2081/4885PANK3 4424/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 1904/4885PANK3 4296/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885PANK3 4362/4885TRPV1 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.