SCHEMBL13639261

SCHEMBL13639261

C=CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.46
MMP13 P45452 11/20 0.46
MMP9 P14780 9/20 0.46
MMP1 P03956 9/20 0.46
MMP8 P22894 6/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MMP3 P08254 8/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
MMP7 P09237 4/20 0.44
FFAR4 Q5NUL3 1/20 0.43
STS P08842 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13639234 1.00 MMP2 (0.46) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13570714 0.86 MMP13 (0.47) MMP2MMP13MMP9MMP1MMP8
SCHEMBL6769969 0.86 MMP2 (0.55) MMP2MMP13MMP9MMP1MMP8
SCHEMBL7493406 0.86 MMP2 (0.55) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13639249 0.85 MMP2 (0.50) MMP2MMP13MMP9MMP1MMP8
SCHEMBL7357601 0.85 MMP2 (0.52) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13639192 0.85 MMP2 (0.50) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13570700 0.84 MMP2 (0.58) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13570524 0.84 MMP2 (0.58) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13570713 0.84 MMP2 (0.58) MMP2MMP13MMP9MMP1MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120282180-A1 Compounds with Matrix-Metalloproteinase Inhibitory Activity and Imaging Agents Thereof SIEMENS MEDICAL SOLUTIONS USA, INC. 2012-11-08 US disclosed
EP-2520573-A1 Compounds with matrix-metalloproteinase inhibitory activity Westfälische Wilhelms-Universität Münster (DE) 2012-11-07 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-20120282180-A1 Compounds with Matrix-Metalloproteinase Inhibitory Activity and Imaging Agents Thereof MMP1, MMP17, MMP25 MMP2 16/4885MMP13 17/4885MMP9 4/4885

“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.