SCHEMBL6021706

SCHEMBL6021706

CC1(C)C2CCC1(CS(=O)(=O)NC(Cc1ccc3ccccc3c1)C(=O)NCC#N)C(=O)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.57
ITGAV P06756 2/20 0.57
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
F10 P00742 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CTSB P07858 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 2/20 0.48
PLG P00747 2/20 0.45
F12 P00748 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
PROC P04070 1/20 0.45
CA1 P00915 4/20 0.44

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
SCHEMBL6021301 0.93 ITGB3 (0.55) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6020845 0.92 MMP1 (0.60) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6019551 0.88 ITGB3 (0.56) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6019805 0.85 MMP1 (0.57) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6021298 0.85 ITGB3 (0.53) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6019703 0.81 ITGB3 (0.54) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6019711 0.81 CTSL (0.51) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6020368 0.81 CTSL (0.51) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6020425 0.81 ALDH1A1 (0.49) ITGB3ITGAVMMP1MMP2MMP9
SCHEMBL6021271 0.81 ALDH1A1 (0.49) ITGB3ITGAVMMP1MMP2MMP9

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 11 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
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 ITGB3 473/4885ITGAV 612/4885MMP1 3281/4885

“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.