SCHEMBL90832

SCHEMBL90832

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)NN)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
KMT2A Q03164 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
SCHEMBL90843 0.81 NPY5R (0.47) NPY5RSMN1; SMN2HSD17B10POLBHTT
SCHEMBL594952 0.81 ALDH1A1 (0.50) NPY5RSMN1; SMN2HSD17B10ALDH1A1CA12
SCHEMBL90846 0.81 ALDH1A1 (0.50) NPY5RSMN1; SMN2HSD17B10ALDH1A1CA12
SCHEMBL2884413 0.81 ALDH1A1 (0.50) NPY5RSMN1; SMN2HSD17B10ALDH1A1CA12
SCHEMBL12048931 0.80 CA12 (0.50) NPY5RSMN1; SMN2ALDH1A1CA12CA7
SCHEMBL12836912 0.79 NPY5R (0.46) NPY5RSMN1; SMN2HSD17B10ALDH1A1CA12
SCHEMBL2901644 0.78 NPY5R (0.45) NPY5RSMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL2898453 0.78 NPY5R (0.45) NPY5RSMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL2901646 0.78 NPY5R (0.45) NPY5RSMN1; SMN2HSD17B10POLBALDH1A1
SCHEMBL13203721 0.76 NPY5R (0.56) NPY5RALDH1A1KMT2A

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-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

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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885SMN1; SMN2 2506/4885HSD17B10 2971/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885SMN1; SMN2 2506/4885HSD17B10 2971/4885

“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.