SCHEMBL6020958

SCHEMBL6020958

CC(C)(C)CC(C)(C)NC(=O)NC(Cc1csc2ccccc12)C(=O)NCCC#N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.59
CTSK P43235 6/20 0.59
CTSL P07711 4/20 0.59
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
TACR1 P25103 1/20 0.39
KLKB1 P03952 3/20 0.38
KLK1 P06870 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
CYP2D6 P10635 1/20 0.37
CTSB P07858 1/20 0.36
F10 P00742 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MCHR1 Q99705 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6019276 0.92 CTSS (0.70) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6020070 0.85 CTSS (0.62) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6021383 0.83 CTSS (0.84) CTSSCTSKCTSLCTSB
SCHEMBL6021563 0.83 CTSS (0.58) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6019601 0.83 CTSS (0.68) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6020677 0.83 CTSL (0.58) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6019204 0.83 CTSL (0.55) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6019898 0.82 CTSL (0.59) CTSSCTSKCTSLTACR1
SCHEMBL6021103 0.82 CTSS (0.54) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6020230 0.82 CTSL (0.54) CTSSCTSKCTSLMMP2MMP9

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 10 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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 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
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 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.