SCHEMBL6020359

SCHEMBL6020359

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.45
MMP13 P45452 10/20 0.45
MMP3 P08254 6/20 0.45
MMP1 P03956 5/20 0.45
MMP9 P14780 5/20 0.45
MMP8 P22894 3/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MMP7 P09237 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL6021521 0.88 HDAC1 (0.38) MMP2MMP1MMP9MMP7ALDH1A1
SCHEMBL6020948 0.87 MMP2 (0.45) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6019953 0.87 MMP2 (0.41) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6019427 0.86 CTSL (0.45) MMP2MMP13MMP9MMP8SMN1; SMN2
SCHEMBL6020682 0.85 ALDH1A1 (0.47) MMP9SLC1A2MMP7ALDH1A1
SCHEMBL6021435 0.84 MMP2 (0.63) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6020290 0.83 MMP2 (0.52) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6020574 0.80 MMP13 (0.51) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6021538 0.79 PTGS2 (0.44) CA1CA2CA9ALDH1A1LMNA
SCHEMBL6019341 0.79 MMP2 (0.50) MMP2MMP13MMP3MMP1MMP9

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 10 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
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 2920/4885MMP13 3184/4885MMP3 4207/4885

“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.