SCHEMBL4425446

SCHEMBL4425446

CCC(C)[C@@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.53
NOS3 P29474 1/20 0.53
NOS2 P35228 1/20 0.53
DPP4 P27487 14/20 0.41
DPP8 Q6V1X1 8/20 0.41
DPP9 Q86TI2 7/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
DPP7 Q9UHL4 7/20 0.37

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
SCHEMBL919004 1.00 NOS1 (0.53) NOS1NOS3NOS2DPP4DPP8
SCHEMBL6224216 1.00 NOS1 (0.53) NOS1NOS3NOS2DPP4DPP8
SCHEMBL1952544 1.00 NOS1 (0.53) NOS1NOS3NOS2DPP4DPP8
SCHEMBL1952051 1.00 NOS1 (0.53) NOS1NOS3NOS2DPP4DPP8
SCHEMBL1841059 1.00 NOS1 (0.53) NOS1NOS3NOS2DPP4DPP8
Hydrochloric Acid SCHEMBL954680 0.98 NOS1 (0.51) NOS1NOS3NOS2DPP4DPP8
Hydrochloric Acid SCHEMBL919003 0.98 NOS1 (0.51) NOS1NOS3NOS2DPP4DPP8
Hydrochloric Acid SCHEMBL919002 0.98 NOS1 (0.51) NOS1NOS3NOS2DPP4DPP8
Acetic Acid SCHEMBL9342261 0.94 NOS1 (0.49) NOS1NOS3NOS2DPP4DPP8
Leucine SCHEMBL29264283 0.86 SLC7A5 (0.53) NOS1NOS3NOS2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NOS1 2276/4885NOS3 1413/4885NOS2 1981/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 NOS1 1908/4885NOS3 1330/4885NOS2 1501/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NOS1 2173/4885NOS3 1358/4885NOS2 1692/4885

“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.