SCHEMBL689846

SCHEMBL689846

CC(C)C(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 1.00
MMP8 P22894 7/20 1.00
MMP3 P08254 7/20 1.00
MMP10 P09238 6/20 1.00
MMP9 P14780 6/20 1.00
MMP12 P39900 5/20 1.00
MMP1 P03956 5/20 1.00
MMP7 P09237 5/20 1.00
MMP14 P50281 4/20 1.00
MMP13 P45452 15/20 0.87
ADAMTS4 O75173 3/20 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
SCHEMBL688448 0.93 MMP13 (1.00) MMP2MMP8MMP3MMP10MMP9
SCHEMBL688449 0.93 MMP13 (1.00) MMP2MMP8MMP3MMP10MMP9
SCHEMBL687789 0.91 MMP13 (0.87) MMP2MMP8MMP3MMP10MMP9
SCHEMBL687790 0.91 MMP13 (0.87) MMP2MMP8MMP3MMP10MMP9
SCHEMBL688503 0.84 MMP13 (0.80) MMP2MMP8MMP3MMP10MMP9
SCHEMBL689478 0.84 MMP2 (0.72) MMP2MMP8MMP3MMP10MMP9
SCHEMBL688746 0.83 MMP13 (0.75) MMP2MMP8MMP3MMP10MMP9
SCHEMBL4935082 0.81 MMP13 (0.71) MMP2MMP8MMP3MMP10MMP9
SCHEMBL689139 0.81 MMP13 (0.70) MMP2MMP8MMP3MMP10MMP9
SCHEMBL689138 0.81 MMP13 (0.70) MMP2MMP8MMP3MMP10MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 MMP2 1/4885MMP8 7/4885MMP3 12/4885

“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.