SCHEMBL10113095

SCHEMBL10113095

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
EPHX2 P34913 1/20 0.56
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 1/20 0.52
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 2/20 0.50
NPY5R Q15761 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL13203716 1.00 NPC1 (0.61) NPC1EPHX2KDM4ELMNAKMT2A
SCHEMBL10113340 0.93 KDM4E (0.62) NPC1KDM4ELMNAKMT2AMAPT
SCHEMBL13203862 0.93 KDM4E (0.62) NPC1KDM4ELMNAKMT2AMAPT
SCHEMBL13204348 0.87 NPC1 (0.65) NPC1EPHX2KDM4ELMNAKMT2A
SCHEMBL13840457 0.84 NPC1 (0.61) NPC1EPHX2KDM4ELMNAKMT2A
SCHEMBL10113953 0.84 NPC1 (0.61) NPC1EPHX2KDM4ELMNAKMT2A
SCHEMBL14424113 0.84 NPC1 (0.61) NPC1EPHX2KDM4ELMNAKMT2A
SCHEMBL14424102 0.84 MAPK14 (0.55) KDM4EALDH1A1NPY5RSMN1; SMN2GAA
SCHEMBL5025132 0.83 NPC1 (0.86) NPC1KDM4ELMNAKMT2AMAPT
SCHEMBL10114645 0.83 SMN1; SMN2 (0.60) NPC1EPHX2KDM4ELMNAKMT2A

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-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-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 NPC1 1353/4885EPHX2 2527/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885EPHX2 2306/4885KDM4E 1653/4885

“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.