SCHEMBL13639264

SCHEMBL13639264

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.43
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
ADAM17 P78536 5/20 0.41
MMP13 P45452 5/20 0.40
MMP3 P08254 2/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP1 P03956 1/20 0.37

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
SCHEMBL13639250 1.00 KCNA5 (0.43) KCNA5CA12CA1CA2CA9
SCHEMBL13571224 1.00 KCNA5 (0.43) KCNA5CA12CA1CA2CA9
SCHEMBL13639267 0.91 MMP13 (0.48) KCNA5CA12CA1CA2CA9
SCHEMBL13639201 0.91 MMP13 (0.48) KCNA5CA12CA1CA2CA9
SCHEMBL13639203 0.86 MMP2 (0.46) CA12CA1CA2CA9MMP13
SCHEMBL13639254 0.86 MMP2 (0.46) CA12CA1CA2CA9MMP13
SCHEMBL13571035 0.84 CA12 (0.39) KCNA5CA12CA1CA2CA9
SCHEMBL13570714 0.77 MMP13 (0.47) KCNA5CA12CA1CA2CA9
SCHEMBL16330720 0.76 MMP13 (0.53) KCNA5CA12CA1CA2CA9
SCHEMBL16330721 0.76 MMP13 (0.53) KCNA5CA12CA1CA2CA9

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 KCNA5 1518/4885CA12 257/4885CA1 202/4885

“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.