SCHEMBL10116308

SCHEMBL10116308

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3scnc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
AURKA O14965 1/20 0.52
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 2/20 0.50
NAMPT P43490 1/20 0.50
TRPV1 Q8NER1 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HIF1A Q16665 1/20 0.47
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL10114485 0.91 RAB9A (0.59) HSD11B1NPC1RAB9AKDM4EMAPT
SCHEMBL5803760 0.84 HSD11B1 (0.65) HSD11B1AURKANPC1RAB9AKMT2A
SCHEMBL10116575 0.84 HSD11B1 (0.59) HSD11B1AURKANPC1RAB9AKDM4E
SCHEMBL10114494 0.79 HDAC8 (0.50) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL10116240 0.78 MEN1 (0.55) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL13565015 0.78 SMN1; SMN2 (0.48) HSD11B1NPC1RAB9AKDM4EMAPT
SCHEMBL10116286 0.77 RAB9A (0.50) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL10116287 0.77 NPC1 (0.42) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL10114495 0.77 RAB9A (0.43) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL13544749 0.76 HSD11B1 (0.54) HSD11B1AURKANPC1RAB9AKDM4E

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 11 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-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
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 HSD11B1 843/4885AURKA 3886/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HSD11B1 858/4885AURKA 3793/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HSD11B1 791/4885AURKA 3731/4885NPC1 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.