SCHEMBL6020286

SCHEMBL6020286

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
CTSL P07711 2/20 0.43
MME P08473 6/20 0.43
ACE P12821 5/20 0.43
CPA1 P15085 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR1 P25103 4/20 0.38
PIN1 Q13526 2/20 0.38
CTSC P53634 1/20 0.37

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
SCHEMBL6019802 0.88 CTSL (0.46) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6021126 0.85 CTSL (0.45) CTSBCTSSCTSKCTSLMME
SCHEMBL6021205 0.84 MMP9 (0.53) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6020743 0.84 MMP9 (0.53) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6019874 0.83 CTSS (0.68) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6021440 0.83 CTSB (0.53) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6020163 0.82 CTSB (0.52) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6021531 0.82 MMP9 (0.53) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6019735 0.82 CTSB (0.52) CTSBCTSSCTSKMMP9MMP8
SCHEMBL6020605 0.81 CTSS (0.68) CTSBCTSSCTSKCTSL

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 9 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
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
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.