SCHEMBL6020522

SCHEMBL6020522

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.60
CTSS P25774 6/20 0.60
CTSB P07858 6/20 0.60
CTSK P43235 5/20 0.60
CA2 P00918 1/20 0.52
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
PTPN1 P18031 3/20 0.49
PIN1 Q13526 2/20 0.47
CTSV O60911 1/20 0.47
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
PTPN2 P17706 1/20 0.46
CDC25B P30305 1/20 0.46

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
SCHEMBL6019790 0.92 CTSB (0.56) CTSLCTSSCTSBCTSKCA2
SCHEMBL6021205 0.90 MMP9 (0.53) CTSLCTSSCTSBCTSKMMP9
SCHEMBL6019766 0.89 CTSS (0.49) CTSLCTSSCTSBCTSKCA2
SCHEMBL6021550 0.89 CTSS (0.54) CTSLCTSSCTSBCTSKCA2
SCHEMBL6021084 0.89 CTSS (0.50) CTSLCTSSCTSBCTSKCA2
SCHEMBL6020743 0.88 MMP9 (0.53) CTSLCTSSCTSBCTSKMMP9
SCHEMBL6020306 0.88 CTSL (0.53) CTSLCTSSCTSBCTSKCA2
SCHEMBL6021192 0.88 CTSL (0.62) CTSLCTSSCTSBCTSKPTPN1
SCHEMBL6443194 0.87 CTSB (0.51) CTSLCTSSCTSBCTSKCA2
SCHEMBL6021440 0.87 CTSB (0.53) CTSLCTSSCTSBCTSKMMP9

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 CTSL 2274/4885CTSS 2720/4885CTSB 2514/4885

“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.