SCHEMBL6021740

SCHEMBL6021740

C=CC(=O)NC(Cc1ccccc1)C(=O)NCCC#N

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.56
CTSK P43235 6/20 0.56
CTSL P07711 11/20 0.54
CTSB P07858 6/20 0.54
TACR1 P25103 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 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
SCHEMBL6020731 0.89 CTSL (0.52) CTSSCTSKCTSLCTSB
SCHEMBL6019880 0.89 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL6019847 0.87 CTSS (0.55) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL6020624 0.87 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL6020222 0.84 CTSS (0.80) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL6021196 0.82 CTSL (0.79) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL6020651 0.81 CTSS (0.65) CTSSCTSKCTSLCTSBTACR1
SCHEMBL6021138 0.81 ANPEP (0.66) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL6019242 0.81 CTSS (0.58) CTSSCTSKCTSLCTSBTACR1
SCHEMBL6020972 0.81 CTSS (0.60) CTSSCTSKCTSLCTSB

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 7 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
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.