SCHEMBL4419865

SCHEMBL4419865

CC(C)(C)OC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.51
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
PABPC1 P11940 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL15083273 0.99 P2RX7 (0.54) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL21549374 0.90 P2RX7 (0.52) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL15110005 0.89 CTSS (0.58) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL13747416 0.88 CTSS (0.59) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL5712275 0.88 KMT2A (0.54) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL23056421 0.88 KMT2A (0.54) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL4900321 0.88 KMT2A (0.67) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL5408063 0.88 KMT2A (0.67) KMT2AMAPK1HRH2HRH1PABPC1
SCHEMBL694814 0.88 P2RX7 (0.59) P2RX7KMT2AMAPK1HRH2HRH1
SCHEMBL694815 0.88 P2RX7 (0.59) P2RX7KMT2AMAPK1HRH2HRH1

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 12 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-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
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-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 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 P2RX7 343/4885KMT2A 2789/4885MAPK1 1592/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 P2RX7 390/4885KMT2A 1951/4885MAPK1 1867/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK P2RX7 419/4885KMT2A 2568/4885MAPK1 1940/4885

“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.