SCHEMBL5088804

SCHEMBL5088804

CC(C)CC(C(=O)O)C(CN1C(=O)c2ccccc2C1=O)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
MMP9 P14780 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
PTPRC P08575 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7373003 0.81 RAB9A (0.41) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL5093810 0.81 RAB9A (0.41) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL7405615 0.79 RAB9A (0.42) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL7405620 0.79 RAB9A (0.42) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL7315581 0.77 CTSL (0.31)
SCHEMBL9327784 0.75 MMP8 (0.40) MMP1MMP3MMP8MMP9KMT2A
SCHEMBL6659546 0.74 GRIK1 (0.36) MMP1MMP13MMP9MAPTCYP2C19
SCHEMBL6659542 0.74 GRIK1 (0.36) MMP1MMP13MMP9MAPTCYP2C19
SCHEMBL9327794 0.74 RAB9A (0.39) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL7372744 0.71 MMP1 (0.49) ELANEMMP1MMP2MMP3MMP8

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 5 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
CN-1319957-C Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO LTD (JP) 2007-06-06 CN disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 US disclosed
CN-1549809-A Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin ������������ʽ���� 2004-11-24 CN 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 ELANE 82/4885MMP1 1/4885MMP2 2/4885

“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.