SCHEMBL6434211

SCHEMBL6434211

COc1cccc(-c2ccc(C3CCN(S(=O)(=O)[C@]4(C(=O)O)C[C@@H]5OC(C)(C)O[C@@H]5C4)CC3)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.48
MMP3 P08254 8/20 0.48
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP14 P50281 2/20 0.47
USP5 P45974 1/20 0.39
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
DGAT2 Q96PD7 2/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL6437315 1.00 MMP2 (0.48) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434216 1.00 MMP2 (0.48) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6434838 0.93 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437373 0.93 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6438592 0.91 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7199561 0.91 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6965267 0.91 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586632 0.87 MMP2 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586243 0.86 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584427 0.85 MMP2 (0.50) MMP2MMP3MMP1MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP disclosed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MMP2 19/4885MMP3 28/4885MMP1 1/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MMP2 19/4885MMP3 28/4885MMP1 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.