SCHEMBL10113327

SCHEMBL10113327

CC(=O)c1cccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
GAA P10253 5/20 0.56
TP53 P04637 1/20 0.55
LMNA P02545 3/20 0.52
NPY5R Q15761 1/20 0.52
USP2 O75604 3/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL13203858 1.00 ALDH1A1 (0.62) ALDH1A1GAATP53LMNANPY5R
SCHEMBL10113344 0.91 GAA (0.54) ALDH1A1GAATP53LMNANPY5R
SCHEMBL13203864 0.91 GAA (0.54) ALDH1A1GAATP53LMNANPY5R
SCHEMBL10113097 0.89 NPY5R (0.53) ALDH1A1GAATP53LMNANPY5R
SCHEMBL13203717 0.89 NPY5R (0.53) ALDH1A1GAATP53LMNANPY5R
SCHEMBL10114548 0.88 GAA (0.51) ALDH1A1GAATP53LMNANPY5R
SCHEMBL14424343 0.88 GAA (0.51) ALDH1A1GAATP53LMNANPY5R
SCHEMBL10113347 0.87 GAA (0.50) ALDH1A1GAATP53LMNANPY5R
SCHEMBL13203866 0.87 GAA (0.50) ALDH1A1GAATP53LMNANPY5R
SCHEMBL14424628 0.87 ALDH1A1 (0.56) ALDH1A1GAALMNANPY5RUSP2

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 8 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885GAA 3316/4885TP53 4417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885GAA 3472/4885TP53 4486/4885

“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.