SCHEMBL10114299

SCHEMBL10114299

CC(C)c1ccc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
NPY5R Q15761 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 2/20 0.52
EPHX2 P34913 2/20 0.52
MAPT P10636 3/20 0.48
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL10133209 1.00 KMT2A (0.58) KMT2AMEN1NPY5RNPSR1GAA
SCHEMBL10114301 0.89 NPSR1 (0.71) KMT2AMEN1NPY5RNPSR1EPHX2
SCHEMBL10133210 0.89 NPSR1 (0.71) KMT2AMEN1NPY5RNPSR1EPHX2
SCHEMBL13203721 0.88 NPY5R (0.56) KMT2AMEN1NPY5RNPSR1GAA
SCHEMBL10113106 0.88 NPY5R (0.56) KMT2AMEN1NPY5RNPSR1GAA
SCHEMBL10114307 0.88 L3MBTL1 (0.56) KMT2AMEN1NPY5RGAAEPHX2
SCHEMBL10133208 0.88 L3MBTL1 (0.56) KMT2AMEN1NPY5RGAAEPHX2
SCHEMBL10114303 0.86 NPY5R (0.57) KMT2AMEN1NPY5RGAAEPHX2
SCHEMBL10114402 0.86 NPY5R (0.57) KMT2AMEN1NPY5RNPSR1GAA
SCHEMBL10134439 0.86 NPY5R (0.57) KMT2AMEN1NPY5RNPSR1GAA

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 3 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-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KMT2A 2912/4885MEN1 2876/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885NPY5R 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.