SCHEMBL10116689

SCHEMBL10116689

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OC3CCCCC3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.57
PLG P00747 3/20 0.57
PLAU P00749 3/20 0.57
PLAT P00750 3/20 0.57
PRSS1 P07477 3/20 0.57
KLKB1 P03952 2/20 0.57
HSD17B10 Q99714 1/20 0.47
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
KLK1 P06870 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 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
SCHEMBL10116718 0.99 F2 (0.58) F2PLGPLAUPLATPRSS1
SCHEMBL10116688 0.88 LMNA (0.48) F2PLGPLAUPLATPRSS1
SCHEMBL10116661 0.87 LMNA (0.49) F2PLGPLAUPLATPRSS1
SCHEMBL10116384 0.86 F2 (0.57) F2PLGPLAUPLATPRSS1
SCHEMBL10116415 0.84 F2 (0.58) F2PLGPLAUPLATPRSS1
SCHEMBL10116725 0.83 MAPT (0.43) F2PLGPLAUPLATPRSS1
SCHEMBL10116704 0.82 KCNK3 (0.65) SMN1; SMN2ALDH1A1LMNAHPGDKCNK3
SCHEMBL10116696 0.82 NR1H4 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL10116752 0.81 PDE4A (0.47) PDE5APDE1APDE1BPDE1CSMN1; SMN2
SCHEMBL13105267 0.80 HDAC4 (0.48) F2PLGPLAUPLATPRSS1

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 F2 4595/4885PLG 4397/4885PLAU 3807/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R F2 4713/4885PLG 4448/4885PLAU 3968/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R F2 4612/4885PLG 4427/4885PLAU 3843/4885

“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.