SCHEMBL10133701

SCHEMBL10133701

CCOc1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPY5R Q15761 1/20 0.50
GAA P10253 3/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
KMT2A Q03164 4/20 0.48
F10 P00742 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.46

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
SCHEMBL13203798 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL10113270 0.91 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL13203804 0.91 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL10114586 0.90 NPY5R (0.48) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL13203834 0.90 TP53 (0.53) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL14424257 0.90 NPY5R (0.48) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL13203806 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL10113286 0.90 TP53 (0.53) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL10113300 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTTP53
SCHEMBL13203829 0.89 EGLN1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTTP53

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-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-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 SMN1; SMN2 2197/4885ALDH1A1 4599/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885ALDH1A1 4517/4885LMNA 1857/4885

“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.