SCHEMBL1133772

SCHEMBL1133772

CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.56
MMP2 P08253 13/20 0.56
MMP1 P03956 9/20 0.56
ADAMTS4 O75173 1/20 0.43
MMP14 P50281 1/20 0.43
MEP1B Q16820 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MMP9 P14780 1/20 0.42

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
SCHEMBL2195902 0.90 MMP13 (0.45) MMP13MMP2MMP1MMP14MMP9
SCHEMBL1133818 0.90 MMP13 (0.44) MMP13MMP2MMP1MMP14MMP9
SCHEMBL2194245 0.90 MMP13 (0.46) MMP13MMP2MMP1
SCHEMBL2197069 0.82 MMP13 (0.39) MMP13MMP2MMP1
SCHEMBL6769491 0.74 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6767563 0.74 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6767568 0.74 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL17923859 0.73 ACACB (0.45)
SCHEMBL1133773 0.72 LMNA (0.59) MMP13MMP2MMP1MMP14MMP9
SCHEMBL7358588 0.72 MMP13 (0.62) MMP13MMP2MMP1MMP9

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 5 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-2009139634-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2009-11-19 WO disclosed
WO-2009139633-A1 RADIOLABELLED MMP SELECTIVE COMPOUNDS ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2009-11-19 WO 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 MMP13 11/4885MMP2 4/4885MMP1 1/4885

“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.