SCHEMBL10113853

SCHEMBL10113853

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(OCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
HDAC6 Q9UBN7 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46

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
SCHEMBL10113861 0.91 KMT2A (0.51) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10113822 0.89 HTT (0.52) MAPK1HDAC6NPC1RAB9AHTT
SCHEMBL10113833 0.88 ALDH1A1 (0.47) HDAC6SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10113825 0.88 THRB (0.53) HDAC6SMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL10113783 0.87 HDAC2 (0.61) MAPK1HDAC6SMN1; SMN2RAB9AHTT
SCHEMBL12882395 0.87 ALDH1A1 (0.46) HDAC6SMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL17090498 0.86 PKM (0.47) MAPK1SMN1; SMN2NPC1RAB9APKM
SCHEMBL12882396 0.86 HTT (0.48) HDAC6SMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL10113580 0.85 MAPK1 (0.49) MAPK1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL10115450 0.85 NR1H4 (0.46) HDAC6ALDH1A1CYP1A2CYP3A4CYP2D6

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 9 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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R MAPK1 1371/4885HDAC6 1853/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPK1 1345/4885HDAC6 1602/4885SMN1; SMN2 2197/4885

“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.