SCHEMBL10133429

SCHEMBL10133429

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.56
CSNK2A1 P68400 1/20 0.56
NPY5R Q15761 1/20 0.52
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 9/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL10114426 1.00 CSNK2A2 (0.56) CSNK2A2CSNK2A1NPY5RRAB9AKDM4E
SCHEMBL10113384 0.89 CSNK2A2 (0.54) CSNK2A2CSNK2A1NPY5RRAB9AKDM4E
SCHEMBL13203876 0.89 CSNK2A2 (0.54) CSNK2A2CSNK2A1NPY5RRAB9AKDM4E
SCHEMBL10114801 0.85 CSNK2A2 (0.56) CSNK2A2CSNK2A1RAB9AKDM4ESMN1; SMN2
SCHEMBL10115630 0.84 NPY5R (0.52) NPY5RRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10114466 0.81 NPY5R (0.54) NPY5RRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13203763 0.81 NPY5R (0.54) NPY5RRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14424747 0.81 NPY5R (0.54) NPY5RRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10113217 0.81 NPY5R (0.54) NPY5RRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17090195 0.80 CA2 (0.41) RAB9AKDM4ESMN1; SMN2ALDH1A1NPC1

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-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-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 CSNK2A2 164/4885CSNK2A1 158/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CSNK2A2 223/4885CSNK2A1 218/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CSNK2A2 155/4885CSNK2A1 148/4885NPY5R 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.