SCHEMBL6020549

SCHEMBL6020549

CCN(C#N)C(=O)C(Cc1ccc(O)cc1)NC(=O)NCc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 10/20 0.46
CTSL P07711 7/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 4/20 0.46
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LCK P06239 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
ANPEP P15144 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39

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
SCHEMBL6019535 0.93 ATM (0.49) CTSBCTSLCTSSCTSKATM
SCHEMBL6021366 0.89 ATM (0.51) CTSBCTSLCTSSCTSKATM
SCHEMBL6020495 0.89 CTSL (0.54) CTSBCTSLCTSSCTSKATM
SCHEMBL6019770 0.88 PSMB1 (0.47) CTSBCTSLCTSSCTSKATM
SCHEMBL6020032 0.86 CTSB (0.44) CTSBCTSLCTSSCTSKATM
SCHEMBL6020479 0.85 ATM (0.62) CTSBCTSLCTSSCTSKATM
SCHEMBL6020666 0.83 FBP1 (0.43) CTSBCTSLCTSSCTSKALDH1A1
SCHEMBL6021134 0.83 ATM (0.58) CTSBCTSLCTSSCTSKATM
SCHEMBL6019548 0.82 CTSB (0.62) CTSBCTSLCTSSCTSK
SCHEMBL6021152 0.81 TP53 (0.55) CTSBCTSLCTSSCTSK

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 2514/4885CTSL 2274/4885CTSS 2720/4885

“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.