SCHEMBL6019790

SCHEMBL6019790

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.56
CTSS P25774 8/20 0.56
CTSK P43235 7/20 0.56
CTSL P07711 7/20 0.56
CA2 P00918 1/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
PIN1 Q13526 3/20 0.42
PTPN1 P18031 2/20 0.42
UTS2R Q9UKP6 2/20 0.42
CTSV O60911 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL6020522 0.92 CTSL (0.60) CTSBCTSSCTSKCTSLCA2
SCHEMBL6019766 0.92 CTSS (0.49) CTSBCTSSCTSKCTSLCA2
SCHEMBL6020473 0.89 CTSL (0.52) CTSBCTSSCTSKCTSLPTPN1
SCHEMBL6020748 0.88 CTSB (0.58) CTSBCTSSCTSKCTSLCA2
SCHEMBL6021550 0.88 CTSS (0.54) CTSBCTSSCTSKCTSLCA2
SCHEMBL6020953 0.85 CTSL (0.51) CTSBCTSSCTSKCTSLCA2
SCHEMBL6021205 0.84 MMP9 (0.53) CTSBCTSSCTSKCTSLMMP9
SCHEMBL6020743 0.84 MMP9 (0.53) CTSBCTSSCTSKCTSLMMP9
SCHEMBL6021440 0.83 CTSB (0.53) CTSBCTSSCTSKCTSLMMP9
SCHEMBL6021084 0.83 CTSS (0.50) CTSBCTSSCTSKCTSLCA2

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 2720/4885CTSK 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.