SCHEMBL10113376

SCHEMBL10113376

COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13203880 1.00 NPY5R (0.49) NPY5RMEN1KMT2APOLBHSD17B10
SCHEMBL10114355 0.87 POLB (0.58) NPY5RPOLBLMNAHTTSMN1; SMN2
SCHEMBL10133754 0.87 POLB (0.58) NPY5RPOLBLMNAHTTSMN1; SMN2
SCHEMBL10113311 0.84 PKM (0.47) NPY5RPOLBSMN1; SMN2TSHRSIRT5
SCHEMBL13203845 0.84 PKM (0.47) NPY5RPOLBSMN1; SMN2TSHRSIRT5
SCHEMBL10114842 0.84 POLB (0.45) MEN1KMT2APOLBHSD17B10L3MBTL1
SCHEMBL14424273 0.84 POLB (0.45) MEN1KMT2APOLBHSD17B10L3MBTL1
SCHEMBL10114362 0.82 NPY5R (0.51) NPY5RMEN1KMT2APOLBLMNA
SCHEMBL10133752 0.82 NPY5R (0.51) NPY5RMEN1KMT2APOLBLMNA
SCHEMBL10114368 0.82 SMN1; SMN2 (0.62) LMNAHTTSMN1; SMN2TSHR

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 8 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-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 1/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MEN1 2926/4885KMT2A 2953/4885

“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.