SCHEMBL6020535

SCHEMBL6020535

CN(C#N)C(=O)C(CS(C)(=O)=O)NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 9/20 0.47
CTSS P25774 8/20 0.47
CTSL P07711 7/20 0.47
CTSK P43235 5/20 0.47
CTSF Q9UBX1 1/20 0.47
PADI1 Q9ULC6 3/20 0.39
PADI3 Q9ULW8 3/20 0.39
PADI4 Q9UM07 3/20 0.39
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6449554 0.89 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6021361 0.87 CTSL (0.43) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6019558 0.87 CTSL (0.60) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6020271 0.86 CTSB (0.43) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6020503 0.84 CTSD (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6020725 0.83 CTSB (0.40) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6019951 0.83 CTSL (0.50) CTSBCTSSCTSLCTSK
SCHEMBL6020543 0.81 CTSS (0.58) CTSBCTSSCTSLCTSK
SCHEMBL6019617 0.80 CTSL (0.53) CTSBCTSSCTSLCTSK
SCHEMBL6020279 0.79 CTSS (0.45) CTSBCTSSCTSLCTSKLMNA

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 CTSB 2514/4885CTSS 2720/4885CTSL 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.