SCHEMBL10113347

SCHEMBL10113347

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.49
NPY5R Q15761 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
BCHE P06276 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL13203866 1.00 GAA (0.50) GAAALDH1A1NPY5RLMNASMN1; SMN2
SCHEMBL14424627 0.88 GAA (0.52) GAAALDH1A1LMNASMN1; SMN2USP2
SCHEMBL10114126 0.88 GAA (0.52) GAAALDH1A1LMNASMN1; SMN2USP2
SCHEMBL12882794 0.87 NPY5R (0.53) NPY5RLMNASMN1; SMN2HTTNPSR1
SCHEMBL14627725 0.87 NPY5R (0.53) NPY5RLMNASMN1; SMN2HTTNPSR1
SCHEMBL10113327 0.87 ALDH1A1 (0.62) GAAALDH1A1NPY5RLMNASMN1; SMN2
SCHEMBL13203858 0.87 ALDH1A1 (0.62) GAAALDH1A1NPY5RLMNASMN1; SMN2
SCHEMBL10114562 0.87 ALDH1A1 (0.54) GAAALDH1A1LMNASMN1; SMN2KCNK3
SCHEMBL14424764 0.87 ALDH1A1 (0.54) GAAALDH1A1LMNASMN1; SMN2KCNK3
SCHEMBL14424343 0.87 GAA (0.51) GAAALDH1A1NPY5RLMNASMN1; SMN2

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 4 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-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-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 GAA 3316/4885ALDH1A1 4599/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885ALDH1A1 4517/4885NPY5R 1/4885

“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.