SCHEMBL6020195

SCHEMBL6020195

CSCC(C)(C)C(=O)NCCC#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL6019293 0.84 CTSS (0.39) CTSSCTSKMCL1
SCHEMBL18854335 0.77 POLB (0.41) PRSS1TMPRSS15MAPTHSD17B10MCL1
SCHEMBL19169555 0.77 MAPT (0.34) PRSS1TMPRSS15MAPTHSD17B10MCL1
SCHEMBL19176743 0.77 DRD2 (0.39) PRSS1TMPRSS15MAPTHSD17B10MCL1
SCHEMBL6020352 0.75 NLRP3 (0.38) PRSS1TMPRSS15MAPTHSD17B10MCL1
SCHEMBL17447525 0.75 CNR1 (0.43) PRSS1TMPRSS15MAPTCTSSCTSK
SCHEMBL13758095 0.71 CTSS (0.36) PRSS1TMPRSS15MAPTHSD17B10CTSS
SCHEMBL22468893 0.70 MAPT (0.34) MAPTHSD17B10MCL1
SCHEMBL6020591 0.70 MMP8 (0.48) PRSS1TMPRSS15MAPTCTSSCTSK
SCHEMBL6020250 0.69 ESR1 (0.44) PRSS1TMPRSS15CTSSCTSK

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 PRSS1 4214/4885TMPRSS15 3540/4885MAPT 4235/4885

“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.