SCHEMBL6020683

SCHEMBL6020683

CS(=O)(=O)CC(NC(=O)NC1CC1c1ccccc1)C(=O)NCCC#N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
BMP1 P13497 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 4/20 0.41
KDM1A O60341 8/20 0.40
KDM1B Q8NB78 1/20 0.40
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6020283 0.92 CTSS (0.46) CA1CA2CA9BMP1SMN1; SMN2
SCHEMBL6021479 0.87 SMN1; SMN2 (0.43) CA1CA2CA9BMP1SMN1; SMN2
SCHEMBL6020108 0.85 CTSS (0.48) EPHX2KDM1AKDM1BCTSBCTSS
SCHEMBL6020860 0.82 CTSL (0.50) CA1CA2CA9EPHX2KDM1A
SCHEMBL6021312 0.80 CTSB (0.50) CA1CA2CA9EPHX2KDM1A
SCHEMBL6020680 0.79 SMN1; SMN2 (0.41) CA1CA2CA9BMP1SMN1; SMN2
SCHEMBL6020101 0.79 ANPEP (0.48) CA1CA2CA9CTSBCTSS
SCHEMBL6021570 0.79 SMN1; SMN2 (0.47) CA1CA2CA9SMN1; SMN2NPSR1
SCHEMBL6020875 0.78 CTSS (0.60) CTSBCTSSCTSL
SCHEMBL6445490 0.78 ANPEP (0.51) CTSBCTSSCTSL

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 CA1 1403/4885CA2 2390/4885CA9 285/4885

“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.