SCHEMBL10114282

SCHEMBL10114282

CCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(/C(C)=N/O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL14418436 1.00 HTT (0.51) HTTGAAALDH1A1MAPTKDM4E
SCHEMBL17090514 0.83 CRHR1 (0.39) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13203858 0.80 ALDH1A1 (0.62) HTTGAAALDH1A1LMNAPOLB
SCHEMBL10113327 0.80 ALDH1A1 (0.62) HTTGAAALDH1A1LMNAPOLB
SCHEMBL10114277 0.77 SMN1; SMN2 (0.41) HTTGAAALDH1A1MAPTKDM4E
SCHEMBL10113344 0.77 GAA (0.54) HTTGAAALDH1A1KDM4ELMNA
SCHEMBL13203864 0.77 GAA (0.54) HTTGAAALDH1A1KDM4ELMNA
SCHEMBL10114848 0.76 NPC1 (0.53) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL14424368 0.76 NPC1 (0.53) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL10113097 0.75 NPY5R (0.53) HTTGAAALDH1A1KDM4ELMNA

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 10 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-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 2081/4885GAA 3448/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 1904/4885GAA 3316/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885GAA 3472/4885ALDH1A1 4517/4885

“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.

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