SCHEMBL6019557

SCHEMBL6019557

N#CCCNC(=O)C(Cc1csc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
CTSL P07711 2/20 0.56
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSB P07858 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
NMBR P28336 1/20 0.38

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
SCHEMBL6019567 0.91 CTSS (0.68) CTSSCTSKCTSLCTSB
SCHEMBL6020946 0.86 CTSS (0.63) CTSSCTSKCTSLCASP1CTSB
SCHEMBL6021171 0.86 CTSS (0.65) CTSSCTSKCTSLCASP1CTSB
SCHEMBL6019553 0.85 CTSL (0.53) CTSSCTSKCTSLCASP1MMP2
SCHEMBL6019601 0.84 CTSS (0.68) CTSSCTSKCTSLCTSBMMP2
SCHEMBL6019616 0.84 CTSS (0.62) CTSSCTSKCTSLCASP1CTSB
SCHEMBL6020259 0.84 NMBR (0.58) CTSSCTSKCTSLNMBR
SCHEMBL6021012 0.84 CTSS (0.56) CTSSCTSKCTSLKMT2ACTSB
SCHEMBL799761 0.83 MDM4 (0.51) CTSSCTSKCTSLCASP1MDM4
SCHEMBL3725892 0.83 MDM4 (0.51) CTSSCTSKCTSLCASP1MDM4

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 6 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-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-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 2720/4885CTSK 2529/4885CTSL 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.