SCHEMBL10113286

SCHEMBL10113286

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(OCC(=O)O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
NPY5R Q15761 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
F10 P00742 5/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL13203834 1.00 TP53 (0.53) TP53NPY5RMAPK1ALDH1A1HTT
SCHEMBL13203829 0.91 EGLN1 (0.48) TP53NPY5RALDH1A1HTTF10
SCHEMBL10113287 0.91 EGLN1 (0.48) TP53NPY5RALDH1A1HTTF10
SCHEMBL13203798 0.90 SMN1; SMN2 (0.53) TP53NPY5RALDH1A1HTTF10
SCHEMBL10133701 0.90 SMN1; SMN2 (0.53) TP53NPY5RALDH1A1HTTF10
SCHEMBL10113300 0.88 ALDH1A1 (0.48) TP53NPY5RALDH1A1HTTF10
SCHEMBL13203806 0.88 ALDH1A1 (0.48) TP53NPY5RALDH1A1HTTF10
SCHEMBL14424257 0.88 NPY5R (0.48) TP53NPY5RALDH1A1HTTF10
SCHEMBL10114586 0.88 NPY5R (0.48) TP53NPY5RALDH1A1HTTF10
SCHEMBL13203804 0.87 ALDH1A1 (0.51) TP53NPY5RALDH1A1HTTF10

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 5 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885NPY5R 1/4885MAPK1 1345/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885NPY5R 1/4885MAPK1 1323/4885

“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.