SCHEMBL6021035

SCHEMBL6021035

CSCC(NC(=O)OCC(C)C)C(=O)N(C)C#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.39
CTSK P43235 11/20 0.39
CTSL P07711 10/20 0.39
CTSB P07858 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CACNA1B Q00975 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7611996 0.86 CTSK (0.51) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6020038 0.86 CTSS (0.37) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL6021408 0.85 SMN1; SMN2 (0.39) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6019434 0.85 CTSS (0.36) CTSSCTSKCTSLCTSB
SCHEMBL6019401 0.84 CTSS (0.35) CTSSCTSKCTSLCTSB
SCHEMBL6019777 0.82 CTSL (0.34) CTSSCTSKCTSLCTSB
SCHEMBL6021573 0.82 NPC1 (0.36) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6020981 0.82 CTSS (0.38) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6021272 0.81 CTSS (0.37) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6021060 0.80 EPHX1 (0.42)

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 10 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
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
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 CTSS 2720/4885CTSK 2529/4885CTSL 2274/4885

“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.