SCHEMBL6020971

SCHEMBL6020971

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
UQCRB P14927 1/20 0.43
BACE1 P56817 1/20 0.43
F2 P00734 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
SLC1A2 P43004 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL6020192 0.91 ALDH1A1 (0.67) ALDH1A1MAPTF2CTSSCTSK
SCHEMBL6021339 0.88 MEN1 (0.49) L3MBTL1MEN1KMT2ABACE1F2
SCHEMBL6020830 0.88 MEN1 (0.51) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6020290 0.86 MMP2 (0.52) L3MBTL1MEN1KMT2ABACE1F2
SCHEMBL6020208 0.86 ALDH1A1 (0.53) ALDH1A1MAPTF2CTSSCTSK
SCHEMBL6021001 0.85 L3MBTL1 (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6019134 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AUQCRB
SCHEMBL6020682 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AUQCRB
SCHEMBL6020123 0.81 CTSL (0.55) ALDH1A1MAPTCTSSCTSKCTSL
SCHEMBL6020558 0.81 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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 4235/4885L3MBTL1 1177/4885

“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.