SCHEMBL689561

SCHEMBL689561

COC(=O)C(NS(=O)(=O)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 10/20 0.80
MMP13 P45452 12/20 0.62
MMP2 P08253 9/20 0.61
MMP3 P08254 9/20 0.61
MMP9 P14780 9/20 0.61
MMP1 P03956 8/20 0.61
MMP7 P09237 8/20 0.61
MMP8 P22894 1/20 0.50

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
SCHEMBL689562 1.00 ADAMTS4 (0.80) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL1656899 0.86 ADAMTS4 (0.84) ADAMTS4MMP13
SCHEMBL12808878 0.83 MMP2 (0.76) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL689670 0.80 ADAMTS4 (0.80) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL689671 0.80 ADAMTS4 (0.80) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL1658487 0.78 ADAMTS4 (0.74) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL3611165 0.78 ADAMTS4 (0.74) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL3607214 0.77 MMP2 (0.75) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL1110930 0.77 MMP2 (0.75) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL5806025 0.77 MMP2 (0.60) ADAMTS4MMP13MMP2MMP3MMP9

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 ADAMTS4 29/4885MMP13 5/4885MMP2 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.