SCHEMBL10113097

SCHEMBL10113097

CC(=O)Nc1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
NAMPT P43490 1/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIA2 P42262 1/20 0.45
AAK1 Q2M2I8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 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
SCHEMBL13203717 1.00 NPY5R (0.53) NPY5RNAMPTGAASMN1; SMN2USP2
SCHEMBL14424628 0.91 ALDH1A1 (0.56) NPY5RGAASMN1; SMN2USP2LMNA
SCHEMBL10114576 0.91 ALDH1A1 (0.56) NPY5RGAASMN1; SMN2USP2LMNA
SCHEMBL10113101 0.90 NAMPT (0.66) NPY5RNAMPTGAASMN1; SMN2LMNA
SCHEMBL13203719 0.90 NAMPT (0.66) NPY5RNAMPTGAASMN1; SMN2LMNA
SCHEMBL13203858 0.89 ALDH1A1 (0.62) NPY5RGAASMN1; SMN2USP2LMNA
SCHEMBL10113327 0.89 ALDH1A1 (0.62) NPY5RGAASMN1; SMN2USP2LMNA
SCHEMBL13203720 0.88 NPY5R (0.53) NPY5RGAASMN1; SMN2USP2LMNA
SCHEMBL13203821 0.88 NPY5R (0.53) NPY5RGAASMN1; SMN2USP2LMNA
SCHEMBL10113100 0.88 NPY5R (0.53) NPY5RGAASMN1; SMN2USP2LMNA

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-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-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 NPY5R 1/4885NAMPT 2350/4885GAA 3316/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NAMPT 2832/4885GAA 3472/4885

“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.