SCHEMBL10114501

SCHEMBL10114501

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(F)cc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
NPY5R Q15761 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.51
POLB P06746 3/20 0.48
HTT P42858 1/20 0.47
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14424167 1.00 TP53 (0.60) TP53NPY5RSMN1; SMN2KMT2APOLB
SCHEMBL10114312 0.86 TSHR (0.58) NPY5RSMN1; SMN2KMT2APOLBGAA
SCHEMBL10133211 0.86 TSHR (0.58) NPY5RSMN1; SMN2KMT2APOLBGAA
SCHEMBL10114328 0.85 NPY5R (0.55) TP53NPY5RSMN1; SMN2KMT2ALMNA
SCHEMBL10133393 0.85 NPY5R (0.55) TP53NPY5RSMN1; SMN2KMT2ALMNA
SCHEMBL10133224 0.84 NPY5R (0.55) TP53NPY5RSMN1; SMN2KMT2ANPC1
SCHEMBL10114313 0.84 NPY5R (0.55) TP53NPY5RSMN1; SMN2KMT2ANPC1
SCHEMBL10114875 0.84 TP53 (0.60) TP53SMN1; SMN2KMT2APOLBHTT
SCHEMBL14424187 0.84 TP53 (0.60) TP53SMN1; SMN2KMT2APOLBHTT
SCHEMBL12864673 0.83 NPY5R (0.58) NPY5RSMN1; SMN2KMT2ALMNA

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 4449/4885NPY5R 1/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885NPY5R 1/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885NPY5R 1/4885SMN1; SMN2 2251/4885

“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.