SCHEMBL17039176

SCHEMBL17039176

CC(C)(C)OC(=O)NCc1nc(-c2ccc(Oc3ccc(S(=O)(=O)CC4CO4)cc3)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ ACACB O00763 1/20 0.50
▸ MMP1 P03956 1/20 0.46
▸ MAPT P10636 8/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ XBP1 P17861 1/20 0.39

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
SCHEMBL17039179 0.89 MMP2 (0.67) MMP2MMP9MMP14ACACBMMP1
SCHEMBL17026751 0.87 MMP2 (0.56) MMP2MMP9MMP14ACACBMMP1
SCHEMBL20878717 0.84 ACACB (0.47) ACACBMAPTKMT2ATP53MEN1
SCHEMBL20078579 0.83 ACACB (0.48) ACACBMAPTKMT2ATP53MEN1
SCHEMBL17039173 0.82 MMP2 (0.55) MMP2MMP9MMP14MMP1MMP13
SCHEMBL28346942 0.78 MMP2 (0.58) MMP2MMP9MMP14ACACBMMP1
SCHEMBL20078580 0.76 ACACB (0.47) MMP2MMP9MMP14ACACBMAPT
SCHEMBL14679174 0.76 MAPT (0.66) ACACBMAPTKMT2ATP53POLB
SCHEMBL17026740 0.76 MMP2 (0.74) MMP2MMP9MMP14ACACBMMP1
SCHEMBL17039174 0.74 ACACB (0.50) ACACBMAPTKMT2ATP53MEN1

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-9951035-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 — — US disclosed
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-07-06 — — 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-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
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-01-19 — — US 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 (2 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-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 MMP2 14/4885MMP9 2/4885MMP14 1/4885
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 MMP2 14/4885MMP9 2/4885MMP14 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.

Send feedback