SCHEMBL1133869

SCHEMBL1133869

O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.65
MMP1 P03956 3/20 0.65
MMP2 P08253 2/20 0.65
MMP14 P50281 2/20 0.65
MMP13 P45452 2/20 0.65
MMP9 P14780 1/20 0.65
MMP16 P51512 1/20 0.65
DAGLA Q9Y4D2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FFAR1 O14842 1/20 0.52
KEAP1 Q14145 3/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NFE2L2 Q16236 1/20 0.51
NR3C1 P04150 1/20 0.51

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
SCHEMBL1133744 0.91 MMP8 (0.81) MMP8MMP1MMP2MMP14MMP13
SCHEMBL1133911 0.88 MMP2 (0.82) MMP8MMP1MMP2MMP14MMP13
SCHEMBL1133895 0.85 MMP2 (0.69) MMP8MMP1MMP2MMP14MMP13
SCHEMBL1133756 0.85 MMP2 (0.65) MMP8MMP1MMP2MMP14MMP13
SCHEMBL15720060 0.81 KMT2A (0.57) MMP8MMP1MMP13SMN1; SMN2LMNA
SCHEMBL2195059 0.81 SMN1; SMN2 (0.49) MMP8MMP1MMP2MMP14MMP13
SCHEMBL16894098 0.80 MMP1 (0.72) MMP8MMP1MMP13SMN1; SMN2NPC1
SCHEMBL1133742 0.80 FFAR1 (0.51) MMP8MMP1MMP2MMP14MMP13
SCHEMBL3503903 0.80 KEAP1 (0.76) MMP8MMP1MMP2MMP14MMP13
SCHEMBL1133828 0.79 MMP2 (1.00) MMP8MMP1MMP2MMP14MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524194-B2 Radiolabelled MMP selective compounds ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2013-09-03 US disclosed
US-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2011-07-14 US disclosed
EP-2285759-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-02-23 EP disclosed
WO-2009139633-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2009-11-19 WO disclosed
WO-2009139634-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2009-11-19 WO disclosed
EP-2119690-A1 Radiolabelled MMP selective compounds Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2009-11-18 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-20110171133-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS MMP1, MMP3, MMP9 MMP8 31/4885MMP1 1/4885MMP2 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.