SCHEMBL17039173

SCHEMBL17039173

CC(C)(C)OC(=O)NCc1ccc(Oc2ccc(S(=O)(=O)CC3CO3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.55
▸ MMP1 P03956 2/20 0.55
▸ MMP8 P22894 4/20 0.54
▸ MMP13 P45452 1/20 0.45
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ MMP9 P14780 10/20 0.44
▸ MMP14 P50281 7/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ MMP3 P08254 2/20 0.41
▸ MMP7 P09237 2/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL17039177 0.85 MMP2 (0.76) MMP2MMP1MMP8MMP9MMP14
SCHEMBL17026726 0.84 MMP2 (0.58) MMP2MMP1MMP8MMP9MMP14
SCHEMBL17039176 0.82 MMP2 (0.51) MMP2MMP1MMP13MMP9MMP14
SCHEMBL10187427 0.77 MMP2 (0.60) MMP2MMP1MMP8MMP9MMP14
SCHEMBL10187462 0.76 MMP2 (0.67) MMP2MMP1MMP8MMP9MMP14
SCHEMBL12290472 0.75 MMP2 (0.46) MMP2MMP1MMP8MMP13MMP9
SCHEMBL313439 0.75 MMP2 (0.71) MMP2MMP1MMP8MMP9MMP14
SCHEMBL12717348 0.74 MMP2 (0.69) MMP2MMP1MMP8MMP9MMP14
SCHEMBL4374911 0.73 L3MBTL1 (0.46) MMP13CA1CA2CA12CA9
SCHEMBL14727900 0.73 MMP2 (0.64) MMP2MMP1MMP8MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357546-B2 Acceleration of diabetic wound healing UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-23 — — US disclosed
US-9951035-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 — — US disclosed
US-20170274053-A1 ACCELERATION OF DIABETIC WOUND HEALING UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-09-28 — — US disclosed
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-07-06 — — US disclosed
US-9604957-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 — — US disclosed
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-01-19 — — US disclosed
WO-2016044844-A1 ACCELERATION OF DIABETIC WOUND HEALING UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-03-24 — — WO disclosed
WO-2015127302-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-08-27 — — 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 (4 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-20170274053-A1 ACCELERATION OF DIABETIC WOUND HEALING MMP8, MMP9, MMP1 MMP2 6/4885MMP1 3/4885MMP8 1/4885
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 MMP2 14/4885MMP1 18/4885MMP8 20/4885
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 MMP2 14/4885MMP1 18/4885MMP8 20/4885
US-10357546-B2 Acceleration of diabetic wound healing MMP8, MMP9, MMP1 MMP2 6/4885MMP1 3/4885MMP8 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.

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