SCHEMBL10114355

SCHEMBL10114355

COc1ccc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
LMNA P02545 5/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
NPY5R Q15761 1/20 0.51
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ACLY P53396 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10133754 1.00 POLB (0.58) POLBACHEBACE1LMNAMAPT
SCHEMBL10114368 0.90 SMN1; SMN2 (0.62) LMNAALDH1A1SMN1; SMN2HTTACLY
SCHEMBL10133753 0.90 SMN1; SMN2 (0.62) LMNAALDH1A1SMN1; SMN2HTTACLY
SCHEMBL10133752 0.90 NPY5R (0.51) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL10114362 0.90 NPY5R (0.51) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL10113081 0.88 SMN1; SMN2 (0.50) POLBACHEBACE1LMNAMAPT
SCHEMBL12864684 0.88 SMN1; SMN2 (0.50) POLBACHEBACE1LMNAMAPT
SCHEMBL10113376 0.87 NPY5R (0.49) POLBLMNASMN1; SMN2HTTNPY5R
SCHEMBL13203880 0.87 NPY5R (0.49) POLBLMNASMN1; SMN2HTTNPY5R
SCHEMBL13203856 0.86 NPY5R (0.51) POLBLMNAMAPTALDH1A1SMN1; 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-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
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R POLB 4727/4885ACHE 2073/4885BACE1 814/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885ACHE 2082/4885BACE1 793/4885

“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.