SCHEMBL6021132

SCHEMBL6021132

CC(C)(C)CC(C)(C)NC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCC#N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.53
CTSK P43235 7/20 0.53
CTSL P07711 3/20 0.50
GRIA1 P42261 3/20 0.45
CTSB P07858 2/20 0.43
CHRND Q07001 5/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42

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
SCHEMBL6019806 0.90 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL6021586 0.90 CTSS (0.65) CTSSCTSKCTSLCTSB
SCHEMBL6020291 0.85 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL6021496 0.82 CTSS (0.62) CTSSCTSKCTSLGRIA1CTSB
SCHEMBL6020375 0.81 CTSS (0.65) CTSSCTSKCTSLCTSB
SCHEMBL6021008 0.81 CTSS (0.81) CTSSCTSKCTSLCTSB
SCHEMBL6020463 0.80 CTSS (0.63) CTSSCTSKCTSLGRIA1CTSB
SCHEMBL6021369 0.80 ATM (0.52) CTSSCTSKCTSLGRIA1CHRND
SCHEMBL6020327 0.79 CTSS (0.38) CTSSCTSKCTSLCTSB
SCHEMBL6020504 0.78 ANPEP (0.59) CTSSCTSKCTSLCTSBCHRND

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 9 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
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 2720/4885CTSK 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.