SCHEMBL688391

SCHEMBL688391

CCOC(=O)C1CCCCN1S(=O)(=O)CCCOc1cccc(CNC(=O)c2nc3scc(C)c3c(=O)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.64
MMP8 P22894 7/20 0.64
MMP2 P08253 7/20 0.64
MMP10 P09238 6/20 0.64
MMP3 P08254 2/20 0.64
MMP12 P39900 2/20 0.64
MMP7 P09237 1/20 0.62
MMP9 P14780 1/20 0.62
MMP14 P50281 1/20 0.62
ADAM17 P78536 1/20 0.62

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
SCHEMBL1475001 0.93 MMP13 (0.74) MMP13MMP8MMP2MMP10MMP3
SCHEMBL5064010 0.87 MMP13 (0.65) MMP13MMP8MMP2MMP10MMP3
SCHEMBL688865 0.87 MMP13 (0.84) MMP13MMP8MMP2MMP10MMP3
SCHEMBL1478155 0.82 MMP13 (0.57) MMP13MMP8MMP2MMP10MMP3
SCHEMBL688571 0.82 MMP13 (0.71) MMP13MMP8MMP2MMP10
SCHEMBL10289677 0.79 MMP13 (0.75) MMP13MMP8MMP2MMP10
SCHEMBL688936 0.78 MMP13 (1.00) MMP13MMP8MMP2MMP10MMP3
SCHEMBL689176 0.78 MMP13 (0.74) MMP13MMP8MMP2MMP10
SCHEMBL1475050 0.77 MMP13 (0.68) MMP13MMP8MMP2MMP10
SCHEMBL689348 0.77 MMP13 (1.00) MMP13MMP8MMP2MMP10MMP3

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 10 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
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 MMP13 5/4885MMP8 7/4885MMP2 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.