SCHEMBL6581071

SCHEMBL6581071

O=C(O)C(CCCc1ccccc1)CS(=O)(=O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 2/20 0.45
MEN1 O00255 1/20 0.45
EPHX1 P07099 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ACHE P22303 1/20 0.43
ADRB3 P13945 1/20 0.43
GRIK1 P39086 1/20 0.43
DRD4 P21917 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
Hydroxyamine SCHEMBL6580410 0.98 MMP1 (0.50) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6575904 0.90 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6580414 0.89 SIGMAR1 (0.44) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6580383 0.84 HTR2A (0.50) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7079165 0.84 MMP2 (0.54) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6578067 0.83 STS (0.52) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6578098 0.81 MMP2 (0.51) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6580390 0.81 MMP2 (0.51) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6578105 0.79 SIGMAR1 (0.49) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6578655 0.74 MMP2 (0.53) MMP1MMP2MMP3MMP9MMP8

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 MMP1 16/4885MMP2 2/4885MMP3 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.