SCHEMBL4929339

SCHEMBL4929339

CCC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@H](NO)[C@@H](C)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TARS1 P26639 1/20 0.39
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRK1 P41145 1/20 0.39
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 2/20 0.38
LARS1 Q9P2J5 1/20 0.38
ADAM10 O14672 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
HTT P42858 1/20 0.38
SLC1A2 P43004 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL4926651 0.82 MMP1 (0.56) MMP1MMP9MMP13ADAM17ADAM10
SCHEMBL5094030 0.82 MMP1 (0.56) MMP1MMP9MMP13ADAM17ADAM10
SCHEMBL14045734 0.77 SLC1A2 (0.46) ALDH1A1NPSR1OPRK1MMP1MMP9
SCHEMBL1443795 0.71 MMP9 (0.54) ALDH1A1MMP1MMP9MMP13ADAM17
SCHEMBL5180159 0.71 MMP9 (0.54) ALDH1A1MMP1MMP9MMP13ADAM17
SCHEMBL1443796 0.71 MMP9 (0.54) ALDH1A1MMP1MMP9MMP13ADAM17
SCHEMBL5182133 0.70 MMP9 (0.53) ALDH1A1MMP1MMP9MMP13ADAM17
SCHEMBL4930709 0.69 MMP1 (0.68) MMP1MMP9MMP13ADAM17MMP7
SCHEMBL8277083 0.69 ALDH1A1 (0.66) ALDH1A1NPSR1FLT1FLT4KDR
SCHEMBL17953242 0.68 ALDH1A1 (0.44) ALDH1A1OPRK1HTT

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US claimed

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 ALDH1A1 28/4885TARS1 2633/4885PTGS2 3774/4885

“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.