SCHEMBL6019199

SCHEMBL6019199

CC(C)COC(=O)NC(Cc1csc2ccccc12)C(=O)NCC#N

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.74
CTSL P07711 10/20 0.74
CTSK P43235 9/20 0.74
CTSB P07858 5/20 0.53
NMBR P28336 2/20 0.51
TACR1 P25103 1/20 0.51
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6019616 0.92 CTSS (0.62) CTSSCTSLCTSKCTSBNMBR
SCHEMBL6020235 0.90 CTSS (0.77) CTSSCTSLCTSKCTSBMMP2
SCHEMBL6019636 0.90 CTSS (0.77) CTSSCTSLCTSKCTSBMMP2
SCHEMBL6019048 0.89 CTSS (0.81) CTSSCTSLCTSKCTSBMMP2
SCHEMBL6019620 0.88 CTSK (0.58) CTSSCTSLCTSKCTSBNMBR
SCHEMBL6021320 0.87 CTSS (0.69) CTSSCTSLCTSKCTSBNMBR
SCHEMBL6019992 0.87 CTSS (0.72) CTSSCTSLCTSKCTSBNMBR
SCHEMBL6019257 0.85 CTSS (1.00) CTSSCTSLCTSKCTSB
SCHEMBL6019182 0.85 CTSS (0.69) CTSSCTSLCTSKCTSBNMBR
SCHEMBL6020582 0.84 CTSS (0.74) CTSSCTSLCTSKCTSBTACR1

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 2720/4885CTSL 2274/4885CTSK 2529/4885

“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.