SCHEMBL6019805

SCHEMBL6019805

CC1(C)C2CCC1(CS(=O)(=O)NC(Cc1ccccc1)C(=O)NCCC#N)C(=O)C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
ITGB3 P05106 4/20 0.56
ITGAV P06756 4/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
F10 P00742 1/20 0.51
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA5A P35218 6/20 0.45
CA5B Q9Y2D0 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ITGA2B P08514 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6020845 0.93 MMP1 (0.60) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6019703 0.93 ITGB3 (0.54) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6021301 0.91 ITGB3 (0.55) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6019551 0.86 ITGB3 (0.56) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL27522238 0.86 ITGB3 (0.66) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6020361 0.85 MMP1 (0.45) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6020996 0.85 MMP1 (0.45) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6019779 0.85 ALDH1A1 (0.47) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6020883 0.85 ALDH1A1 (0.47) MMP1MMP2MMP9MMP8ITGB3
SCHEMBL6021706 0.85 ITGB3 (0.57) MMP1MMP2MMP9MMP8ITGB3

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 12 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
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
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
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 MMP1 3281/4885MMP2 2920/4885MMP9 2430/4885

“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.