SCHEMBL4423573

SCHEMBL4423573

CC(C)(C)OC(=O)c1ccc[nH]1.OBO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN4A P35499 1/20 0.39
SCN3A Q9NY46 1/20 0.39
TSHR P16473 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL645520 0.95 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAAMEN1
Hydrochloric Acid SCHEMBL28853901 0.93 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL30302109 0.93 RAB9A (0.55) RAB9ANPC1SMN1; SMN2GAAMEN1
Oxalic Acid SCHEMBL30696169 0.90 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL29524553 0.87 RAB9A (0.54) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL14245491 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL28512165 0.78 RAB9A (0.51) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL520445 0.74
SCHEMBL5162856 0.73 RAB9A (0.57) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL9853987 0.73 RAB9A (0.49) RAB9ANPC1SMN1; SMN2GAAMEN1

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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds 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 RAB9A 3771/4885NPC1 3747/4885SMN1; SMN2 4623/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 RAB9A 3498/4885NPC1 4135/4885SMN1; SMN2 4630/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK RAB9A 3706/4885NPC1 3767/4885SMN1; SMN2 4598/4885

“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.