SCHEMBL90843

SCHEMBL90843

CC(=O)[C@H]1CC[C@H](NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
EPHX2 P34913 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL594952 0.85 ALDH1A1 (0.50) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL2884413 0.85 ALDH1A1 (0.50) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL90846 0.85 ALDH1A1 (0.50) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL12048931 0.84 CA12 (0.50) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL12836912 0.84 NPY5R (0.46) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL2901646 0.82 NPY5R (0.45) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL2898453 0.82 NPY5R (0.45) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL2901644 0.82 NPY5R (0.45) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL90832 0.81 NPY5R (0.50) NPY5RCA12CA7CA14ALDH1A1
SCHEMBL12436673 0.79 CA12 (0.41) CA12CA7CA14ALDH1A1EPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20100035996-A1 GLUCOSE METABOLISM STIMULATING AGENT SHIONOGI & CO LTD (JP) 2010-02-11 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-20100035996-A1 GLUCOSE METABOLISM STIMULATING AGENT GPR119, GCKR, GHSR NPY5R 413/4885CA12 2972/4885CA7 2100/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885CA12 3484/4885CA7 1691/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885CA12 3484/4885CA7 1691/4885

“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.