SCHEMBL6580404

SCHEMBL6580404

O=C(c1ccccc1)c1ccc(S(=O)(=O)CC(CCCN2C(=O)c3ccccc3C2=O)C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.67
MMP9 P14780 13/20 0.67
MMP1 P03956 8/20 0.67
MMP3 P08254 7/20 0.67
MMP8 P22894 6/20 0.67
MMP13 P45452 2/20 0.53
HDAC7 Q8WUI4 6/20 0.50
HDAC1 Q13547 5/20 0.50
ADAM17 P78536 3/20 0.48
MMP14 P50281 2/20 0.48
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6578094 0.89 MMP2 (0.65) MMP2MMP9MMP1MMP3MMP8
SCHEMBL7230600 0.83 MMP2 (0.65) MMP2MMP9MMP1MMP3MMP8
SCHEMBL7079056 0.77 MMP2 (0.65) MMP2MMP9MMP1MMP3MMP8
SCHEMBL7077896 0.75 MMP2 (0.60) MMP2MMP9MMP1MMP3MMP8
SCHEMBL7226591 0.71 MMP2 (0.60) MMP2MMP9MMP1MMP3MMP8
SCHEMBL6575894 0.71 CYP1A2 (0.49) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL7363878 0.70 MMP9 (0.62) MMP2MMP9MMP1MMP3MMP8
SCHEMBL9219366 0.70 MMP2 (0.55) MMP2MMP9MMP3MMP13HDAC7
SCHEMBL7507734 0.70 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP8
SCHEMBL6383136 0.70 MMP2 (0.60) MMP2MMP9MMP1MMP3MMP8

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 3/4885MMP1 16/4885

“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.