SCHEMBL10114607

SCHEMBL10114607

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.49
KIF18A Q8NI77 1/20 0.44
NPY5R Q15761 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 2/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14424087 1.00 TP53 (0.49) TP53KIF18ANPY5RUSP2LMNA
SCHEMBL10114649 0.88 F10 (0.50) TP53NPY5RLMNAALDH1A1
SCHEMBL14424074 0.88 F10 (0.50) TP53NPY5RLMNAALDH1A1
SCHEMBL10115822 0.88 TP53 (0.48) TP53KIF18AUSP2LMNAHTT
SCHEMBL13204444 0.87 TP53 (0.49) TP53USP2LMNAGAAHPGD
SCHEMBL10114961 0.87 TP53 (0.49) TP53USP2LMNAGAAHPGD
SCHEMBL11935338 0.83 TP53 (0.41) TP53KIF18ASMN1; SMN2MAPTPOLB
SCHEMBL13439061 0.83 TP53 (0.41) TP53KIF18ASMN1; SMN2MAPTPOLB
SCHEMBL10113333 0.82 TP53BP1 (0.50) NPY5RUSP2LMNAGAAHPGD
SCHEMBL10114285 0.82 TP53BP1 (0.50) NPY5RUSP2LMNAGAAHPGD

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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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

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 TP53 4449/4885KIF18A 4519/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885KIF18A 4554/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885KIF18A 4489/4885NPY5R 1/4885

“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.