SCHEMBL6019518

SCHEMBL6019518

N#CCCNC(=O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
CTSB P07858 6/20 0.46
CTSS P25774 6/20 0.46
CTSL P07711 5/20 0.46
CTSK P43235 5/20 0.46
NPY5R Q15761 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 3/20 0.43
MMP9 P14780 2/20 0.42
MAPT P10636 1/20 0.42
TMPRSS6 Q8IU80 2/20 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
SCHEMBL6020526 0.92 CTSS (0.52) MMP2CTSBCTSSCTSLCTSK
SCHEMBL6021373 0.90 CTSB (0.57) MMP2ADAMTS5CTSBCTSSCTSL
SCHEMBL6020215 0.89 ALDH1A1 (0.53) CTSBCTSSCTSLCTSKNPY5R
SCHEMBL6020578 0.89 MMP9 (0.53) MMP2CTSBCTSSCTSLCTSK
SCHEMBL6021143 0.88 MMP2 (0.61) MMP2ADAMTS5CTSBCTSSCTSL
SCHEMBL6019575 0.86 CTSS (0.47) CTSBCTSSCTSLCTSKNPY5R
SCHEMBL6021345 0.85 MEN1 (0.50) MMP2ADAMTS5CTSBCTSSCTSL
SCHEMBL6021323 0.84 NAMPT (0.44) CTSBCTSSCTSLCTSKNPY5R
SCHEMBL6019478 0.83 CTSS (0.62) MMP2CTSBCTSSCTSLCTSK
SCHEMBL6019981 0.82 TSHR (0.56) CTSBCTSSCTSLCTSKKMT2A

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 MMP2 2920/4885ADAMTS5 3950/4885CTSB 2514/4885

“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.