SCHEMBL10113183

SCHEMBL10113183

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
ALDH1A1 P00352 3/20 0.53
CTPS1 P17812 1/20 0.53
HDAC6 Q9UBN7 2/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
HDAC1 Q13547 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 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
SCHEMBL10113561 0.88 ALDH1A1 (0.53) ALDH1A1HDAC6KMT2AMEN1HDAC1
SCHEMBL10113438 0.88 MEN1 (0.59) ALDH1A1HDAC6KMT2AMEN1HDAC1
SCHEMBL10114985 0.87 KMT2A (0.52) ALDH1A1HDAC6KMT2AMEN1HDAC1
SCHEMBL10113615 0.87 ALDH1A1 (0.59) ALDH1A1HDAC6KMT2AMEN1GAA
SCHEMBL10113445 0.87 HDAC6 (0.61) ALDH1A1HDAC6KMT2AMEN1HDAC1
SCHEMBL10114991 0.86 ALDH1A1 (0.54) ALDH1A1HDAC6KMT2AMEN1LMNA
SCHEMBL10114989 0.86 HDAC6 (0.67) ALDH1A1HDAC6HDAC1LMNA
SCHEMBL10115008 0.85 L3MBTL1 (0.56) ALDH1A1HDAC6KMT2AMEN1HDAC1
SCHEMBL10113624 0.85 MEN1 (0.68) ALDH1A1HDAC6KMT2AMEN1HDAC1
SCHEMBL10115103 0.85 HDAC6 (0.63) ALDH1A1HDAC6KMT2AMEN1GAA

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-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 EPHX2 2158/4885ALDH1A1 4558/4885CTPS1 4531/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885ALDH1A1 4599/4885CTPS1 4643/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885ALDH1A1 4517/4885CTPS1 4550/4885

“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.