SCHEMBL10113818

SCHEMBL10113818

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)CCC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.44
PTPRC P08575 3/20 0.43
PTPN13 Q12923 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
TERT O14746 6/20 0.42
RAB9A P51151 1/20 0.41
HTR1A P08908 1/20 0.41
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL10113887 0.87 ALDH1A1 (0.40) PTPRCPTPN13ALDH1A1LMNAHDAC3
SCHEMBL10113550 0.85 BAZ2B (0.44) BAZ2BPTPRCPTPN13ALDH1A1LMNA
SCHEMBL10113895 0.84 MAPK1 (0.52) ALDH1A1LMNARAB9AKDM4EMAPT
SCHEMBL13565661 0.83 GRIA1 (0.45) BAZ2B
SCHEMBL10113785 0.81 PTPRC (0.61) PTPRCPTPN13ALDH1A1TERTRAB9A
SCHEMBL14424069 0.80 HDAC6 (0.46) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL10115397 0.80 ALDH1A1 (0.56) PTPRCPTPN13ALDH1A1LMNATERT
SCHEMBL10115418 0.79 PSEN1 (0.46) ALDH1A1LMNAHDAC6RAB9AHTR1A
SCHEMBL10115330 0.79 ALDH1A1 (0.45) PTPRCPTPN13ALDH1A1LMNATERT
SCHEMBL13972724 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHDAC3HDAC4HDAC1

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 BAZ2B 1345/4885PTPRC 419/4885PTPN13 282/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R BAZ2B 1145/4885PTPRC 501/4885PTPN13 307/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R BAZ2B 1351/4885PTPRC 440/4885PTPN13 302/4885

“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.