SCHEMBL6021177

SCHEMBL6021177

C=CCCOC(=O)NC(CSC)C(=O)NC(C)C#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.36
DPP4 P27487 1/20 0.34
CTSK P43235 9/20 0.33
CTSL P07711 9/20 0.33
CTSB P07858 2/20 0.32
BACE1 P56817 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL6019784 0.84 CTSS (0.47) CTSSCTSKCTSLCTSB
SCHEMBL6020796 0.83 CTSS (0.35) CTSSDPP4CTSKCTSLCTSB
SCHEMBL6021418 0.83 CTSS (0.39) CTSSDPP4CTSKCTSLCTSB
SCHEMBL6019190 0.82 CTSS (0.37) CTSSDPP4CTSKCTSL
SCHEMBL6019821 0.82 DPP4 (0.39) CTSSDPP4CTSKCTSLCTSB
SCHEMBL6021172 0.81 CTSS (0.37) CTSSCTSKCTSLCTSB
SCHEMBL6020302 0.81 DPP4 (0.38) CTSSDPP4CTSKCTSLCTSB
SCHEMBL6021384 0.81 EPHX1 (0.42) CTSS
SCHEMBL6020464 0.80 DPP4 (0.41) CTSSDPP4CTSKCTSLCTSB
SCHEMBL6019247 0.80 CTSL (0.54) CTSSCTSKCTSLCTSB

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 6 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-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-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 2720/4885DPP4 4543/4885CTSK 2529/4885

“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.