SCHEMBL10133211

SCHEMBL10133211

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPY5R Q15761 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
EPHX2 P34913 1/20 0.51
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDH2 P48735 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 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
SCHEMBL10114312 1.00 TSHR (0.58) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL12882406 0.87 NPY5R (0.61) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL10114322 0.87 NPY5R (0.61) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL10114500 0.86 NPY5R (0.57) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL14424166 0.86 NPY5R (0.57) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL14424167 0.86 TP53 (0.60) SMN1; SMN2NPY5RKMT2ALMNAL3MBTL1
SCHEMBL10114501 0.86 TP53 (0.60) SMN1; SMN2NPY5RKMT2ALMNAL3MBTL1
SCHEMBL10114328 0.84 NPY5R (0.55) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL10133393 0.84 NPY5R (0.55) TSHRSMN1; SMN2NPY5RKMT2AMEN1
SCHEMBL13204287 0.83 TSHR (0.58) TSHRSMN1; SMN2KMT2AMEN1EPHX2

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-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
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 TSHR 163/4885SMN1; SMN2 2213/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 189/4885SMN1; SMN2 2197/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 173/4885SMN1; SMN2 2251/4885NPY5R 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.