SCHEMBL10114754

SCHEMBL10114754

COc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 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
SCHEMBL13204304 1.00 POLB (0.58) POLBACHEBACE1ALDH1A1MAPT
SCHEMBL13204309 0.90 POLB (0.49) POLBACHEBACE1ALDH1A1MAPT
SCHEMBL10114736 0.90 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL13204311 0.90 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL10114755 0.90 POLB (0.49) POLBACHEBACE1ALDH1A1MAPT
SCHEMBL13204449 0.87 POLB (0.47) POLBACHEBACE1ALDH1A1MAPT
SCHEMBL10114978 0.87 POLB (0.47) POLBACHEBACE1ALDH1A1MAPT
SCHEMBL10134454 0.87 POLB (0.47) POLBACHEBACE1ALDH1A1MAPT
SCHEMBL14424273 0.87 POLB (0.45) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10114842 0.87 POLB (0.45) POLBMAPTSMN1; SMN2KMT2AMEN1

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 7 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-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-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 POLB 4751/4885ACHE 2082/4885BACE1 793/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885ACHE 2198/4885BACE1 837/4885

“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.