SCHEMBL10116561

SCHEMBL10116561

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.56
NPC1 O15118 12/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GFER P55789 1/20 0.54
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NAMPT P43490 1/20 0.50
MAPK1 P28482 1/20 0.50
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL10116575 0.91 HSD11B1 (0.59) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL10114485 0.84 RAB9A (0.59) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL10116586 0.79 NPC1 (0.40) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL10116607 0.79 LMNA (0.44) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL7452160 0.79 NPC1 (0.64) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL13096286 0.78 ALDH1A1 (0.47) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL18626332 0.78 GFER (0.76) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL10116570 0.77 HDAC8 (0.50) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL10116308 0.75 HSD11B1 (0.59) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL10116563 0.75 RAB9A (0.50) RAB9ANPC1KDM4EMAPTKMT2A

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 RAB9A 3699/4885NPC1 1435/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885KDM4E 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.