SCHEMBL6578094

SCHEMBL6578094

O=C(c1ccccc1)c1ccc(S(=O)(=O)CC(CCCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.65
MMP9 P14780 16/20 0.65
MMP3 P08254 6/20 0.65
MMP1 P03956 4/20 0.65
MMP8 P22894 4/20 0.65
MMP13 P45452 2/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL6580404 0.89 MMP2 (0.67) MMP2MMP9MMP3MMP1MMP8
SCHEMBL7079056 0.87 MMP2 (0.65) MMP2MMP9MMP3MMP1MMP8
SCHEMBL7077896 0.85 MMP2 (0.60) MMP2MMP9MMP3MMP1MMP8
SCHEMBL7226591 0.81 MMP2 (0.60) MMP2MMP9MMP3MMP1MMP8
SCHEMBL9219366 0.79 MMP2 (0.55) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL7074930 0.79 MMP2 (1.00) MMP2MMP9MMP3MMP1MMP8
SCHEMBL6575894 0.79 CYP1A2 (0.49) MMP2MMP9MMP3MMP13ALDH1A1
SCHEMBL7077886 0.78 MMP2 (0.66) MMP2MMP9MMP3MMP1MMP13
SCHEMBL7078207 0.78 MMP2 (0.53) MMP2MMP9MMP3MMP1MMP8
SCHEMBL7078652 0.74 MMP1 (0.49) MMP2MMP9MMP3MMP1MMP8

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 7 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
CN-1227540-A Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity DARWIN DISCOVERY CO LTD (GB) 1999-09-01 CN 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 3/4885MMP3 5/4885

“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.