SCHEMBL6019770

SCHEMBL6019770

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)NCc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
CTSB P07858 11/20 0.46
CTSS P25774 8/20 0.46
CTSL P07711 7/20 0.46
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CTSK P43235 4/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL6019456 0.92 ATM (0.49) PSMB1PSMB5PSMB2CTSBCTSS
SCHEMBL6020163 0.92 CTSB (0.52) PSMB1PSMB5PSMB2CTSBCTSS
SCHEMBL6019535 0.91 ATM (0.49) PSMB1PSMB5PSMB2CTSBCTSS
SCHEMBL6020549 0.88 CTSB (0.46) CTSBCTSSCTSLCTSKATM
SCHEMBL6020032 0.84 CTSB (0.44) CTSBCTSSCTSLCTSKATM
SCHEMBL6020766 0.84 MMP9 (0.44) PSMB1PSMB5PSMB2CTSBCTSS
SCHEMBL6021205 0.83 MMP9 (0.53) CTSBCTSSCTSLMMP9MMP8
SCHEMBL6021148 0.83 CTSB (0.65) PSMB1PSMB5PSMB2CTSBCTSS
SCHEMBL6020479 0.83 ATM (0.62) PSMB5CTSBCTSSCTSLCTSK
SCHEMBL6021198 0.82 MMP9 (0.46) CTSBCTSSCTSLMMP9MMP8

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 11 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
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 PSMB1 684/4885PSMB5 423/4885PSMB2 317/4885

“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.