SCHEMBL10113340

SCHEMBL10113340

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 7/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.51
NPY5R Q15761 1/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL13203862 1.00 KDM4E (0.62) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL10113095 0.93 NPC1 (0.61) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL13203716 0.93 NPC1 (0.61) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL14424102 0.88 MAPK14 (0.55) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL10114121 0.84 KDM4E (0.62) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL14424114 0.84 KDM4E (0.62) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL10115636 0.83 SMN1; SMN2 (0.60) ALDH1A1POLBGAASMN1; SMN2MAPT
SCHEMBL10114876 0.81 KDM4E (0.58) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL14424364 0.81 KDM4E (0.58) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL10114377 0.81 KMT2A (0.59) ALDH1A1GAASMN1; 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 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 KDM4E 1627/4885ALDH1A1 4599/4885POLB 4751/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885ALDH1A1 4517/4885POLB 4721/4885

“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.