SCHEMBL13640722

SCHEMBL13640722

C=CC[C@@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.61
MMP2 P08253 6/20 0.61
MMP13 P45452 7/20 0.58
MMP8 P22894 2/20 0.58
ADAMTS4 O75173 1/20 0.49
MMP1 P03956 5/20 0.47
ADAM17 P78536 5/20 0.47
ALDH1A1 P00352 1/20 0.47
NAMPT P43490 1/20 0.47
KCNA5 P22460 2/20 0.46
HTT P42858 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
SCHEMBL13640686 1.00 MMP9 (0.61) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13640680 0.93 MMP9 (0.54) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13640690 0.93 MMP9 (0.54) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13640656 0.90 MMP9 (0.54) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13640693 0.90 MMP9 (0.54) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13639210 0.90 MMP9 (0.77) MMP9MMP2MMP13MMP8MMP1
SCHEMBL13639200 0.90 MMP9 (0.77) MMP9MMP2MMP13MMP8MMP1
SCHEMBL13640745 0.86 MMP9 (0.81) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13640715 0.86 MMP9 (0.81) MMP9MMP2MMP13MMP8ADAMTS4
SCHEMBL13640685 0.85 MMP9 (0.65) MMP9MMP2MMP13MMP8ADAMTS4

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 1 patent. 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

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.