SCHEMBL6020951

SCHEMBL6020951

COc1ccc(S(=O)(=O)NC(CSC)C(=O)NCCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MMP2 P08253 6/20 0.45
MMP13 P45452 6/20 0.45
MMP3 P08254 4/20 0.45
MMP1 P03956 4/20 0.45
MMP9 P14780 3/20 0.45
PSMB8 P28062 1/20 0.44
GAA P10253 1/20 0.44
MMP8 P22894 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
BMP1 P13497 5/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL6020165 0.90 MMP2 (0.50) HSD17B10ALDH1A1MMP2MMP13MMP3
SCHEMBL6020118 0.88 HDAC3 (0.40) HSD17B10ALDH1A1MMP2MMP1MMP9
SCHEMBL6020363 0.87 HSD17B10 (0.50) HSD17B10ALDH1A1MMP2MMP13MMP3
SCHEMBL6019655 0.87 PSMB8 (0.46) ALDH1A1MMP2PSMB8RAB9ABMP1
SCHEMBL6021548 0.86 CTSL (0.45) HSD17B10ALDH1A1MMP2MMP13MMP3
SCHEMBL6019139 0.86 ALDH1A1 (0.48) ALDH1A1MMP9PSMB8MAPTRAB9A
SCHEMBL6021438 0.84 MMP2 (0.63) HSD17B10ALDH1A1MMP2MMP13MMP3
SCHEMBL6020292 0.83 MMP2 (0.52) HSD17B10ALDH1A1MMP2MMP13MMP3
SCHEMBL6020578 0.80 MMP9 (0.53) HSD17B10ALDH1A1MMP2MMP13MMP3
SCHEMBL6019522 0.77 MMP9 (0.68) MMP2MMP9

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 HSD17B10 903/4885ALDH1A1 662/4885MMP2 2920/4885

“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.