SCHEMBL6020538

SCHEMBL6020538

CC(C)(C)c1ccc(S(=O)(=O)NC(CS(C)(=O)=O)C(=O)NCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
SLC1A2 P43004 1/20 0.47
EEF2K O00418 1/20 0.45
CTSL P07711 9/20 0.44
CTSB P07858 5/20 0.44
CTSF Q9UBX1 1/20 0.44
PSMB8 P28062 5/20 0.43
PSMB5 P28074 3/20 0.43
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.41

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
SCHEMBL6020685 0.91 ALDH1A1 (0.48) ALDH1A1MAPTSLC1A2EEF2KPSMB8
SCHEMBL6020458 0.87 CTSS (0.49) CTSLCTSBCTSFCTSSCTSK
SCHEMBL6020970 0.86 ALDH1A1 (0.53) ALDH1A1MAPTSLC1A2EEF2KCTSL
SCHEMBL6020393 0.86 MMP2 (0.46) ALDH1A1SLC1A2CTSLCTSBPSMB8
SCHEMBL6021046 0.84 ALDH1A1 (0.73) ALDH1A1MAPTCTSLCTSBCTSS
SCHEMBL6019341 0.84 MMP2 (0.50) ALDH1A1SLC1A2
SCHEMBL6020558 0.82 ALDH1A1 (0.60) ALDH1A1MAPTCTSLCTSBCTSS
SCHEMBL6020213 0.82 CTSL (0.43) CTSLCTSBCTSFCTSSCTSK
SCHEMBL6019436 0.80 CTSS (0.45) ALDH1A1MAPTCTSLCTSBPSMB8
SCHEMBL6020682 0.79 ALDH1A1 (0.47) ALDH1A1MAPTSLC1A2EEF2K

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.