SCHEMBL10133352

SCHEMBL10133352

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
MAPT P10636 5/20 0.47
NPY5R Q15761 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 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
SCHEMBL13203777 1.00 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL10114033 0.87 MEN1 (0.51) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL13565601 0.83 PTPN2 (0.41) MEN1KMT2AMAPTNPY5RALDH1A1
SCHEMBL17090500 0.83 PTPN2 (0.41) MEN1KMT2AMAPTNPY5RALDH1A1
SCHEMBL13203737 0.78 RAB9A (0.61) RAB9ASMN1; SMN2NPC1LMNAKMT2A
SCHEMBL10113141 0.78 RAB9A (0.61) RAB9ASMN1; SMN2NPC1LMNAKMT2A
SCHEMBL13203775 0.75 NPY5R (0.52) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL13222420 0.75 NPY5R (0.52) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL10114641 0.75 CYP1A2 (0.56) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL13204244 0.75 CYP1A2 (0.56) RAB9ASMN1; SMN2NPC1LMNAMEN1

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-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 RAB9A 3651/4885SMN1; SMN2 2197/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885SMN1; SMN2 2251/4885NPC1 1462/4885

“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.