SCHEMBL6019575

SCHEMBL6019575

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSB P07858 4/20 0.47
CTSK P43235 3/20 0.47
F2 P00734 5/20 0.45
TMPRSS6 Q8IU80 4/20 0.45
CTSL P07711 3/20 0.44
NPY5R Q15761 2/20 0.44
KAT6A Q92794 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40
USP30 Q70CQ3 1/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL6020017 0.91 CTSS (0.57) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6019335 0.90 F2 (0.52) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6020578 0.88 MMP9 (0.53) CTSSCTSBCTSKF2CTSL
SCHEMBL6020526 0.88 CTSS (0.52) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6021003 0.87 L3MBTL1 (0.45) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6020215 0.86 ALDH1A1 (0.53) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6019518 0.86 MMP2 (0.47) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6021529 0.83 FPR2 (0.56) CTSSCTSBCTSKCTSL
SCHEMBL6020132 0.81 MMP2 (0.53) CTSSCTSBCTSKF2TMPRSS6
SCHEMBL6020384 0.81 CTSS (0.49) CTSSCTSBCTSKCTSLMAPT

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 CTSS 2720/4885CTSB 2514/4885CTSK 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.