SCHEMBL14727896

SCHEMBL14727896

CNc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.76
MMP9 P14780 19/20 0.76
MMP14 P50281 13/20 0.76
MMP3 P08254 7/20 0.76
MMP8 P22894 7/20 0.74
MMP7 P09237 4/20 0.74
MMP1 P03956 2/20 0.74
ADAM17 P78536 1/20 0.70

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
SCHEMBL315716 0.86 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL14730967 0.86 MMP2 (0.72) MMP2MMP9MMP14MMP3MMP8
SCHEMBL19771706 0.86 MMP2 (0.72) MMP2MMP9MMP14MMP3MMP8
SCHEMBL314064 0.85 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL16404570 0.85 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL10187468 0.84 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP8
SCHEMBL14727895 0.84 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP8
SCHEMBL12247618 0.83 MMP2 (0.84) MMP2MMP9MMP14MMP3MMP8
SCHEMBL17039213 0.83 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP8
SCHEMBL14716589 0.83 MMP2 (0.81) MMP2MMP9MMP14MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536500-B Selective matrix metalloproteinase inhibitors 圣母大学 2020-01-10 CN disclosed
US-9867805-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-16 US disclosed
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-12-01 US disclosed
US-9321754-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-04-26 US disclosed
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-04-02 US disclosed
US-8937151-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-20 US disclosed
US-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-02-28 US 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 (3 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-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP9 2/4885MMP14 1/4885
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP9 2/4885MMP14 1/4885
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP9 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.