SCHEMBL755065

SCHEMBL755065

CC(C)(N)c1ncccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
COMT P21964 4/20 0.41
CHRM1 P11229 2/20 0.41
TSHR P16473 2/20 0.41
MMP2 P08253 1/20 0.41
ADRA1A P35348 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
IDO1 P14902 1/20 0.36
PSMB5 P28074 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTT P42858 1/20 0.36
FTO Q9C0B1 2/20 0.36

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
SCHEMBL29834150 1.00 KDM4E (0.43) KDM4EALDH1A1KMT2ACOMTCHRM1
SCHEMBL31505059 0.83 KDM4E (0.50) KDM4EALDH1A1KMT2ACOMTCHRM1
SCHEMBL2627824 0.83 KDM4E (0.50) KDM4EALDH1A1KMT2ACOMTCHRM1
SCHEMBL5038676 0.81 ALDH1A1 (0.44) KDM4EALDH1A1KMT2ACOMTCHRM1
SCHEMBL1331870 0.79 KDM4E (0.43) KDM4EALDH1A1KMT2ACOMTCHRM1
SCHEMBL16252854 0.77 NOS3 (0.50) KDM4EMETAP2L3MBTL1HSP90AA1SLC6A2
SCHEMBL15502005 0.76 ALDH1A1 (0.42) KDM4EALDH1A1KMT2ACOMTCHRM1
SCHEMBL25053731 0.75 CA2 (0.37) KDM4EALDH1A1KMT2ATSHRHTT
SCHEMBL12293799 0.75 MAPT (0.35) KDM4EL3MBTL1HTTNOS3NOS1
SCHEMBL29724855 0.75 DPP4 (0.36) KDM4EALDH1A1KMT2AHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288130-B2 Polypeptide cleavage process MEDTRONIC, INC. (US) 2012-10-16 US claimed
EP-1532142-B1 POLYPEPTIDE CLEAVAGE PROCESS MEDTRONIC INC (US) 2012-03-21 EP claimed
US-20100311947-A1 POLYPEPTIDE CLEAVAGE PROCESS MEDTRONIC, INC. (US) 2010-12-09 US claimed
EP-1531836-B1 POLYPEPTIDE CLEAVAGE PROCESS MEDTRONIC INC (US) 2010-11-10 EP claimed
US-7771966-B2 Polypeptide cleavage process MEDTRONIC, INC. (US) 2010-08-10 US claimed
US-7592432-B2 selectively splitting the polypeptide at a Cys-His site, by hydrolysis in presence of a palladium promotor dissolved in formic acid; purification with by-product inhibition RESTORAGEN, INC. (US) 2009-09-22 US claimed
EP-1531836-A4 POLYPEPTIDE CLEAVAGE PROCESS RESTORAGEN INC (US) 2008-11-05 EP claimed
EP-1532142-A4 POLYPEPTIDE CLEAVAGE PROCESS RESTORAGEN INC (US) 2007-08-08 EP claimed
US-20050227313-A1 Polypeptide cleavage process MEDTRONIC, INC. 2005-10-13 US claimed
US-20050227314-A1 Polypeptide cleavage process MEDTRONIC, INC. 2005-10-13 US claimed
EP-1532142-A2 POLYPEPTIDE CLEAVAGE PROCESS Restoragen, Inc. (US) 2005-05-25 EP claimed
EP-1531836-A2 POLYPEPTIDE CLEAVAGE PROCESS Restoragen, Inc. (US) 2005-05-25 EP claimed
WO-2004011599-A2 POLYPEPTIDE CLEAVAGE PROCESS RESTORAGEN, INC. (US) 2004-02-05 WO claimed
WO-2003100015-A2 POLYPEPTIDE CLEAVAGE PROCESS RESTORAGEN, INC. (US) 2003-12-04 WO claimed
CN-114878540-A Derivatization reagents, kits and methods for detecting nerve agents 中国人民解放军军事科学院军事医学研究院 2022-08-09 CN disclosed
EP-1668021-B1 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS FOURNIER LAB SA (FR) 2011-06-22 EP disclosed
US-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 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 (1 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-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS KDM4E 1350/4885ALDH1A1 878/4885KMT2A 4016/4885

“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.