SCHEMBL6020682

SCHEMBL6020682

CCN(C#N)C(=O)C(CS(C)(=O)=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
SLC1A2 P43004 1/20 0.42
EEF2K O00418 1/20 0.40
F10 P00742 2/20 0.36
PLG P00747 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LGMN Q99538 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
UQCRB P14927 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC11 Q96DB2 2/20 0.36
MMP7 P09237 1/20 0.35
MMP10 P09238 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL6019134 0.87 ALDH1A1 (0.47) ALDH1A1MAPTSLC1A2EEF2KF10
SCHEMBL6019953 0.87 MMP2 (0.41) ALDH1A1SLC1A2MEN1KMT2ACYP3A4
SCHEMBL6019427 0.86 CTSL (0.45) ALDH1A1MAPTEEF2KMMP9
SCHEMBL6020359 0.85 MMP2 (0.45) ALDH1A1SLC1A2MMP7MMP9
SCHEMBL6020192 0.84 ALDH1A1 (0.67) ALDH1A1MAPTMMP7MMP9
SCHEMBL6021521 0.83 HDAC1 (0.38) ALDH1A1HDAC3HDAC8HDAC6HDAC11
SCHEMBL6020971 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSLC1A2MEN1KMT2A
SCHEMBL6020208 0.80 ALDH1A1 (0.53) ALDH1A1MAPTF10PLG
SCHEMBL6020538 0.79 ALDH1A1 (0.53) ALDH1A1MAPTSLC1A2EEF2K
SCHEMBL6021353 0.77 NR3C1 (0.62) MMP9

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-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 ALDH1A1 662/4885MAPT 4235/4885SLC1A2 4197/4885

“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.