SCHEMBL90959

SCHEMBL90959

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL12048931 0.78 CA12 (0.50) NPY5RCA12CA7CA14
SCHEMBL12836912 0.71 NPY5R (0.46) NPY5RCA12CA7CA14
SCHEMBL14314445 0.71 CA12 (0.42) NPY5RCA12CA7CA14
SCHEMBL10133146 0.71 CA12 (0.42) NPY5RCA12CA7CA14
SCHEMBL13054260 0.71 CA12 (0.42) NPY5RCA12CA7CA14
SCHEMBL16230729 0.70 CA12 (0.52) NPY5RCA12CA7CA14
SCHEMBL19700360 0.70 CA12 (0.46) NPY5RCA12CA7CA14
SCHEMBL11934696 0.69 NPY5R (0.39) NPY5RCA12CA7CA14
SCHEMBL90843 0.69 NPY5R (0.47) NPY5RCA12CA7CA14
SCHEMBL2884413 0.69 ALDH1A1 (0.50) NPY5RCA12CA7CA14

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 1/4885CA12 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.