SCHEMBL1133744

SCHEMBL1133744

O=C(O)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.81
MMP1 P03956 8/20 0.81
MMP13 P45452 7/20 0.81
MMP2 P08253 5/20 0.81
MMP14 P50281 5/20 0.81
MMP9 P14780 3/20 0.81
MMP16 P51512 2/20 0.81
MMP7 P09237 4/20 0.63
MMP12 P39900 4/20 0.63
MEP1B Q16820 3/20 0.58
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
MMP3 P08254 5/20 0.52
BMP1 P13497 2/20 0.51
DAGLA Q9Y4D2 1/20 0.50
ADAMTS4 O75173 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49

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
SCHEMBL1133869 0.91 MMP8 (0.65) MMP8MMP1MMP13MMP2MMP14
SCHEMBL1133828 0.90 MMP2 (1.00) MMP8MMP1MMP13MMP2MMP14
SCHEMBL1134063 0.89 MMP8 (0.83) MMP8MMP1MMP13MMP2MMP14
SCHEMBL3912945 0.88 MMP8 (0.81) MMP8MMP1MMP13MMP2MMP14
SCHEMBL12508073 0.88 MMP2 (0.81) MMP8MMP1MMP13MMP2MMP14
SCHEMBL12418980 0.88 MMP8 (0.81) MMP8MMP1MMP13MMP2MMP14
SCHEMBL1133865 0.88 MMP8 (0.81) MMP8MMP1MMP13MMP2MMP14
SCHEMBL8001734 0.83 MEP1B (0.81) MMP8MMP1MMP13MMP2MMP14
SCHEMBL1133895 0.80 MMP2 (0.69) MMP8MMP1MMP13MMP2MMP14
SCHEMBL1133911 0.80 MMP2 (0.82) MMP8MMP1MMP13MMP2MMP14

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 1/4885MMP13 11/4885

“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.