SCHEMBL5090722

SCHEMBL5090722

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.76
CTSL P07711 1/20 0.60
USP30 Q70CQ3 3/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPN P05981 3/20 0.52
PLAU P00749 2/20 0.52
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP2 P08253 1/20 0.47
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47

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
SCHEMBL7673629 1.00 MMP9 (0.76) MMP9CTSLUSP30MAPTTDP1
SCHEMBL7669215 0.94 MMP9 (0.72) MMP9CTSLUSP30MAPTALDH1A1
SCHEMBL7665251 0.94 MMP9 (0.72) MMP9CTSLUSP30MAPTALDH1A1
SCHEMBL7583683 0.87 MMP9 (0.58) MMP9CTSLUSP30MAPTTDP1
SCHEMBL7669356 0.87 MMP9 (1.00) MMP9CTSLMAPTTDP1ALDH1A1
SCHEMBL5093780 0.87 MMP9 (1.00) MMP9CTSLMAPTTDP1ALDH1A1
SCHEMBL7667625 0.85 MMP9 (0.57) MMP9CTSLMAPTTDP1ALDH1A1
SCHEMBL7673449 0.85 PLAU (0.59) MMP9MAPTTDP1ALDH1A1HPN
SCHEMBL7674329 0.85 PLAU (0.59) MMP9MAPTTDP1ALDH1A1HPN
SCHEMBL7688160 0.85 ALDH1A1 (0.59) MMP9CTSLMAPTTDP1ALDH1A1

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 MMP9 4/4885CTSL 419/4885USP30 698/4885

“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.