SCHEMBL6019711

SCHEMBL6019711

CC1(C)C2CCC1(CS(=O)(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NCC#N)C(=O)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP1 P03956 1/20 0.48
MMP8 P22894 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.43
F10 P00742 1/20 0.43
CASP1 P29466 1/20 0.41

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
SCHEMBL6020996 0.93 MMP1 (0.45) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020992 0.86 MMP1 (0.44) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020845 0.85 MMP1 (0.60) CTSSCTSKMMP2MMP9MMP1
SCHEMBL6020368 0.85 CTSL (0.51) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6021706 0.81 ITGB3 (0.57) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6019551 0.81 ITGB3 (0.56) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6019805 0.80 MMP1 (0.57) MMP2MMP9MMP1MMP8CYP1A2
SCHEMBL6020361 0.79 MMP1 (0.45) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020425 0.79 ALDH1A1 (0.49) MMP2MMP9MMP1MMP8CYP1A2
SCHEMBL6021271 0.79 ALDH1A1 (0.49) MMP2MMP9MMP1MMP8CYP1A2

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 8 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
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
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.