SCHEMBL6020550

SCHEMBL6020550

COC(=O)NC(Cc1ccc2ccccc2c1)C(=O)N(C)C#N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
CTSB P07858 5/20 0.54
CTSS P25774 5/20 0.54
CTSL P07711 4/20 0.54
CTSK P43235 4/20 0.54
TACR1 P25103 1/20 0.45
MME P08473 3/20 0.44
ACE P12821 3/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
PIN1 Q13526 1/20 0.43

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
SCHEMBL6020397 0.90 CTSB (0.57) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6020004 0.89 CTSB (0.58) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6020537 0.89 CTSS (0.70) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6019361 0.89 MMP9 (0.59) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6018643 0.88 CTSB (0.55) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6021440 0.88 CTSB (0.53) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6020171 0.87 CTSB (0.53) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6020303 0.86 CTSS (0.62) CTSBCTSSCTSLCTSK
SCHEMBL6020300 0.85 CTSL (0.62) MMP9MMP8CTSBCTSSCTSL
SCHEMBL6019157 0.85 CTSB (0.52) MMP9MMP8CTSBCTSSCTSL

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 MMP9 2430/4885MMP8 2383/4885CTSB 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.