SCHEMBL6019341

SCHEMBL6019341

COc1ccc(S(=O)(=O)NC(CS(C)(=O)=O)C(=O)NCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.50
MMP13 P45452 9/20 0.50
MMP9 P14780 6/20 0.50
MMP3 P08254 5/20 0.50
MMP1 P03956 5/20 0.50
MMP8 P22894 3/20 0.48
HSD17B10 Q99714 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP7 P09237 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
BMP1 P13497 3/20 0.45

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
SCHEMBL6020363 0.90 HSD17B10 (0.50) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6020213 0.87 CTSL (0.43) MMP2MMP13MMP9MMP1MMP7
SCHEMBL6020458 0.87 CTSS (0.49) MMP2MMP13MMP9MMP1
SCHEMBL6020165 0.86 MMP2 (0.50) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6020393 0.86 MMP2 (0.46) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6019687 0.84 MMP2 (0.68) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6020538 0.84 ALDH1A1 (0.53) SLC1A2ALDH1A1
SCHEMBL6019251 0.82 MMP2 (0.57) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6021666 0.79 CTSS (0.58) MMP2MMP13MMP9MMP3MMP1
SCHEMBL6020359 0.79 MMP2 (0.45) MMP2MMP13MMP9MMP3MMP1

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 2920/4885MMP13 3184/4885MMP9 2430/4885

“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.