SCHEMBL6578098

SCHEMBL6578098

O=C(O)C(CCCc1ccccc1)CS(=O)(=O)C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP9 P14780 5/20 0.51
MMP8 P22894 5/20 0.51
MMP1 P03956 4/20 0.51
MMP3 P08254 4/20 0.51
GRIK1 P39086 1/20 0.47
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
AGTR2 P50052 1/20 0.38
FOLH1 Q04609 1/20 0.38
POLB P06746 1/20 0.38
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL7079165 0.89 MMP2 (0.54) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6578119 0.89 MMP2 (0.56) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6580390 0.85 MMP2 (0.51) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6580383 0.82 HTR2A (0.50) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6581071 0.81 MMP1 (0.52) MMP2MMP9MMP8MMP1MMP3
Hydroxyamine SCHEMBL6580410 0.79 MMP1 (0.50) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6578067 0.77 STS (0.52) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6581054 0.77 GRIK1 (0.48) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075232 0.73 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075141 0.73 MMP2 (0.80) MMP2MMP9MMP8MMP1MMP3

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
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 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 (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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 MMP2 2/4885MMP9 3/4885MMP8 18/4885

“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.