SCHEMBL6020009

SCHEMBL6020009

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
CTSS P25774 1/20 0.37
GNPAT O15228 1/20 0.36
MME P08473 2/20 0.33
PHF8 Q9UPP1 4/20 0.32
KDM2A Q9Y2K7 4/20 0.32
KDM4E B2RXH2 2/20 0.32
KDM5C P41229 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32
CTSB P07858 1/20 0.32
ACE P12821 1/20 0.32
FOLH1 Q04609 3/20 0.31
KDM7A Q6ZMT4 1/20 0.31
KDM6B O15054 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
SCHEMBL6021078 0.82 CTSS (0.45) CTSSGNPATCTSB
SCHEMBL6020156 0.81 DPP4 (0.37) DPP4CTSSGNPATMMEPHF8
SCHEMBL6020005 0.78 CTSS (0.36) CTSSGNPATMMECTSB
SCHEMBL6020464 0.78 DPP4 (0.41) DPP4CTSSCTSB
SCHEMBL6020983 0.78 CTSS (0.55) CTSSMMECTSBACE
SCHEMBL6021468 0.76 CTSL (0.49) CTSSMMECTSBACE
SCHEMBL6020122 0.75 TSHR (0.41) DPP4CTSSCTSB
SCHEMBL6019821 0.74 DPP4 (0.39) DPP4CTSSCTSB
SCHEMBL6021074 0.74 PHF8 (0.38) CTSSGNPATMMEPHF8KDM2A
SCHEMBL6020267 0.74 CTSL (0.54) CTSSCTSB

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 DPP4 4543/4885CTSS 2720/4885GNPAT 3341/4885

“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.