SCHEMBL10114883

SCHEMBL10114883

CCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 6/20 0.51
POLB P06746 3/20 0.51
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14424370 1.00 KDM4E (0.56) KDM4EHSD17B10GAASMN1; SMN2MAPT
SCHEMBL10114876 0.92 KDM4E (0.58) KDM4EHSD17B10GAASMN1; SMN2MAPT
SCHEMBL14424364 0.92 KDM4E (0.58) KDM4EHSD17B10GAASMN1; SMN2MAPT
SCHEMBL14424114 0.88 KDM4E (0.62) KDM4EGAASMN1; SMN2MAPTMEN1
SCHEMBL10114121 0.88 KDM4E (0.62) KDM4EGAASMN1; SMN2MAPTMEN1
SCHEMBL13439174 0.82 HSD17B10 (0.46) HSD17B10GAASMN1; SMN2MAPTMEN1
SCHEMBL11935440 0.82 HSD17B10 (0.46) HSD17B10GAASMN1; SMN2MAPTMEN1
SCHEMBL10113953 0.81 NPC1 (0.61) KDM4EGAASMN1; SMN2MAPTMEN1
SCHEMBL14424113 0.81 NPC1 (0.61) KDM4EGAASMN1; SMN2MAPTMEN1
SCHEMBL10114843 0.81 NPC1 (0.47) KDM4EHSD17B10SMN1; SMN2MAPTMEN1

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 9 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
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 KDM4E 1668/4885HSD17B10 1161/4885GAA 3448/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885HSD17B10 1102/4885GAA 3316/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885HSD17B10 1002/4885GAA 3472/4885

“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.