SCHEMBL6020170

SCHEMBL6020170

N#CCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.58
CTSB P07858 5/20 0.58
CTSL P07711 4/20 0.58
FCER2 P06734 1/20 0.57
CTSK P43235 3/20 0.57
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
PSMB2 P49721 1/20 0.55
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
ANPEP P15144 1/20 0.53
KLKB1 P03952 1/20 0.49
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.46
CTSV O60911 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 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
SCHEMBL6019462 0.93 CTSB (0.54) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6446666 0.91 CTSS (0.57) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6020596 0.90 CTSB (0.70) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6019782 0.90 CTSB (0.54) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6021138 0.89 ANPEP (0.66) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6021212 0.88 CTSB (0.62) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6020773 0.87 CTSS (0.50) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6020504 0.86 ANPEP (0.59) CTSSCTSBCTSLCTSKPSMB5
SCHEMBL6019739 0.86 CTSS (0.63) CTSSCTSBCTSLFCER2CTSK
SCHEMBL6021162 0.85 CTSB (0.65) CTSSCTSBCTSLFCER2CTSK

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

“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.