SCHEMBL6020282

SCHEMBL6020282

CC(=O)Nc1ccc(C(=O)NC(Cc2csc3ccccc23)C(=O)NCCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.53
CTSS P25774 5/20 0.53
CTSK P43235 5/20 0.53
F10 P00742 2/20 0.45
KLKB1 P03952 3/20 0.45
CTSB P07858 4/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
TACR1 P25103 1/20 0.42
KLK1 P06870 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL6019146 0.92 CTSL (0.62) CTSLCTSSCTSKF10CTSB
SCHEMBL6019756 0.89 CTSL (0.60) CTSLCTSSCTSKF10CTSB
SCHEMBL6020070 0.87 CTSS (0.62) CTSLCTSSCTSKF10KLKB1
SCHEMBL6020831 0.86 CTSL (0.52) CTSLCTSSCTSKF10KLKB1
SCHEMBL6020295 0.86 CTSL (0.48) CTSLCTSSCTSKF10KLKB1
SCHEMBL6021179 0.83 CTSS (0.55) CTSLCTSSCTSKKLKB1CTSB
SCHEMBL6020293 0.82 CTSL (0.69) CTSLCTSSCTSKHDAC6TACR1
SCHEMBL6020088 0.82 CTSL (0.65) CTSLCTSSCTSKCTSB
SCHEMBL6019786 0.82 CTSL (0.52) CTSLCTSSCTSKKLKB1MMP2
SCHEMBL6019152 0.82 F10 (0.47) CTSLCTSSCTSKF10KLKB1

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 CTSL 2274/4885CTSS 2720/4885CTSK 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.