SCHEMBL6021074

SCHEMBL6021074

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 6/20 0.38
KDM2A Q9Y2K7 6/20 0.38
KDM7A Q6ZMT4 1/20 0.38
GNPAT O15228 1/20 0.36
MME P08473 2/20 0.33
KDM5C P41229 4/20 0.32
EGLN1 Q9GZT9 3/20 0.32
KDM4E B2RXH2 3/20 0.32
KDM6B O15054 2/20 0.31
FOLH1 Q04609 2/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
RIMKLA Q8IXN7 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6020001 0.83 GNPAT (0.35) PHF8KDM2AKDM7AGNPATMME
SCHEMBL6020545 0.81 PHF8 (0.36) PHF8KDM2AKDM7AGNPATMME
SCHEMBL6019894 0.78 CTSL (0.51) MMECTSLCTSBCTSSCTSK
SCHEMBL5527109 0.77 CTSK (0.48) CTSLCTSBCTSSCTSK
SCHEMBL6021078 0.77 CTSS (0.45) GNPATCTSLCTSBCTSSCTSK
SCHEMBL6021452 0.76 ALDH1A1 (0.40) CTSLCTSBCTSSCTSK
SCHEMBL6021456 0.76 ALDH1A1 (0.40) CTSLCTSBCTSSCTSK
SCHEMBL6021707 0.75 TGFBR1 (0.41)
SCHEMBL6020038 0.74 CTSS (0.37) CTSLCTSBCTSSCTSK
SCHEMBL6020009 0.74 DPP4 (0.39) PHF8KDM2AKDM7AGNPATMME

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 PHF8 1954/4885KDM2A 1042/4885KDM7A 383/4885

“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.