SCHEMBL6019573

SCHEMBL6019573

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.47
KAT6A Q92794 1/20 0.43
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
CTSL P07711 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
SCHEMBL6019333 0.90 MMP2 (0.49) CTSBCTSSCTSKADAMTS4CTSL
SCHEMBL6020574 0.89 MMP13 (0.51) F2PRSS1MMP13
SCHEMBL6020523 0.88 F2 (0.52) F2CTSBCTSSCTSKF10
SCHEMBL6021001 0.88 L3MBTL1 (0.44) F2CTSBCTSSCTSKCTSL
SCHEMBL6020208 0.87 ALDH1A1 (0.53) F2CTSBCTSSCTSKF10
SCHEMBL6019514 0.87 F2 (0.51) F2F10PLGPLATPRSS1
SCHEMBL6021526 0.83 FPR2 (0.56) CTSBCTSSCTSKCTSL
SCHEMBL6020017 0.83 CTSS (0.57) F2KAT6ACTSBCTSSCTSK
SCHEMBL6020115 0.82 HDAC1 (0.40) MMP13
SCHEMBL6021521 0.82 HDAC1 (0.38)

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 F2 4703/4885KAT6A 160/4885CTSB 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.