Sugi Predict

Sugi Predict / Compounds / SCHEMBL10113476

SCHEMBL10113476

SCHEMBL10113476

CCCCc1ccc(NC(=O)CCCCN(C)[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.55
▸ SIRT1 Q96EB6 6/20 0.55
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ENPP2 Q13822 1/20 0.46
▸ DGAT2 Q96PD7 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CA1 P00915 1/20 0.44

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
SCHEMBL10113755 0.84 SIRT2 (0.55) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL10112840 0.80 HPGD (0.56) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL10113004 0.79 HPGD (0.55) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL10113022 0.78 HPGD (0.57) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL13716202 0.78 POLB (0.73) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL4081226 0.78 POLB (0.73) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL27663784 0.76 HPGD (0.67) SIRT2SIRT1NPC1RAB9AHPGD
SCHEMBL25269210 0.75 ENPP2 (0.69) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL27909135 0.75 ENPP2 (0.69) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL9842929 0.75 POLB (0.73) NPC1RAB9AHPGDPOLBSMN1; 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 7 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
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 SIRT2 1538/4885SIRT1 1604/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SIRT2 1397/4885SIRT1 1347/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SIRT2 1530/4885SIRT1 1598/4885NPC1 1462/4885

“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.