SCHEMBL644092

SCHEMBL644092

COC(=O)CC1Nc2ccccc2NC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.63
ALDH1A1 P00352 12/20 0.63
MAPT P10636 9/20 0.63
GAA P10253 5/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
HPGD P15428 5/20 0.63
TP53 P04637 2/20 0.63
TSHR P16473 2/20 0.63
LMNA P02545 1/20 0.63
GLA P06280 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
ALOX15 P16050 3/20 0.62
RAB9A P51151 2/20 0.62
MAPK1 P28482 2/20 0.62
NPC1 O15118 1/20 0.62
HSD17B10 Q99714 7/20 0.62
POLB P06746 2/20 0.58
HTT P42858 3/20 0.57
TAAR1 Q96RJ0 1/20 0.56

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
SCHEMBL4428402 1.00 KDM4E (0.63) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL29743121 0.86 HSD17B10 (0.52) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL17061471 0.86 HSD17B10 (0.52) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL17072296 0.86 HSD17B10 (0.52) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL4421203 0.85 ALDH1A1 (0.62) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL16238512 0.82 MAPT (0.48) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL16238511 0.82 MAPT (0.48) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL4420851 0.81 ALDH1A1 (0.74) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL4425365 0.81 ALDH1A1 (0.74) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL13757009 0.80 HSD17B10 (0.46) KDM4EALDH1A1MAPTGAAMEN1

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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
US-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BAYER HEALTHCARE AG (DE) 2004-11-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 KDM4E 3303/4885ALDH1A1 3104/4885MAPT 4721/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 KDM4E 3082/4885ALDH1A1 2364/4885MAPT 4735/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A KDM4E 2875/4885ALDH1A1 511/4885MAPT 2595/4885
US-20040235849-A1 Tetrahydroquinoxalines acting as bradykinin antagonists BDKRB2, BDKRB1, LTB4R2 KDM4E 3548/4885ALDH1A1 4292/4885MAPT 3174/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KDM4E 3560/4885ALDH1A1 2366/4885MAPT 4676/4885

“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.