SCHEMBL13639272

SCHEMBL13639272

C=CC[C@H](C(=O)OC(C)(C)C)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.64
MMP2 P08253 4/20 0.64
MMP13 P45452 11/20 0.47
MMP1 P03956 8/20 0.47
ADAM17 P78536 6/20 0.47
MMP8 P22894 2/20 0.47
ALDH1A1 P00352 1/20 0.46
ADAMTS4 O75173 1/20 0.45
CXCR3 P49682 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL13639193 1.00 MMP9 (0.64) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13639217 0.89 MMP9 (0.65) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13639252 0.89 MMP9 (0.65) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13570444 0.88 MMP9 (0.78) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13570710 0.88 MMP9 (0.78) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13570445 0.88 MMP9 (0.78) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13639280 0.88 MMP9 (0.64) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13639258 0.88 MMP9 (0.64) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13639262 0.88 MMP9 (0.80) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL13639253 0.88 MMP9 (0.80) MMP9MMP2MMP13MMP1ADAM17

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 3 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
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 MMP9 4/4885MMP2 16/4885MMP13 17/4885

“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.