SCHEMBL5090949

SCHEMBL5090949

COc1ccc(S(=O)(=O)N2CCOCC2C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.77
MMP3 P08254 14/20 0.77
MMP13 P45452 11/20 0.77
KCNQ1 P51787 1/20 0.56
MMP7 P09237 9/20 0.56
MMP9 P14780 7/20 0.56
ADAM17 P78536 1/20 0.54
MMP2 P08253 4/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MMP8 P22894 1/20 0.51

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
SCHEMBL6429970 0.84 MMP3 (0.56) MMP1MMP3MMP13KCNQ1MMP7
SCHEMBL6429974 0.84 MMP3 (0.56) MMP1MMP3MMP13KCNQ1MMP7
SCHEMBL6338959 0.84 MMP1 (0.94) MMP1MMP3MMP13MMP7MMP9
SCHEMBL3708412 0.83 LMNA (0.55) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL6506041 0.82 MMP13 (0.80) MMP1MMP3MMP13MMP9ADAM17
SCHEMBL2706480 0.82 MMP1 (0.67) MMP1MMP3MMP13MMP7MMP9
SCHEMBL2705860 0.82 MMP1 (0.67) MMP1MMP3MMP13MMP7MMP9
SCHEMBL2705855 0.82 MMP1 (0.67) MMP1MMP3MMP13MMP7MMP9
SCHEMBL3717923 0.81 MMP1 (0.73) MMP1MMP3MMP13MMP7MMP9
SCHEMBL3717921 0.81 MMP1 (0.73) MMP1MMP3MMP13MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348017-B2 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2008-03-25 US disclosed
EP-1422224-B1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN SHISEIDO CO LTD (JP) 2007-12-19 EP disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 US disclosed
EP-1422224-A1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN Shiseido Co., Ltd. (JP) 2004-05-26 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-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin MMP1, MMP2, MMP3 MMP1 1/4885MMP3 3/4885MMP13 9/4885

“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.