SCHEMBL7074729

SCHEMBL7074729

O=C(O)C(CCCN1C(=O)CCC1=O)CS(=O)(=O)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.40
MMP1 P03956 5/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP3 P08254 3/20 0.39
MMP8 P22894 2/20 0.39
ADAM17 P78536 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
MMP14 P50281 2/20 0.35
TBXAS1 P24557 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL7080824 0.90 MMP13 (0.48) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7078100 0.82 MMP2 (0.44) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7075454 0.81 POLB (0.46) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7075243 0.80 MMP13 (0.43) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7078207 0.79 MMP2 (0.53) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7079056 0.77 MMP2 (0.65) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7078652 0.72 MMP1 (0.49) MMP1MMP2MMP9MMP3MMP8
SCHEMBL7077896 0.69 MMP2 (0.60) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7507734 0.65 MMP2 (0.47) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6578094 0.65 MMP2 (0.65) MMP13MMP1MMP2MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MMP13 1/4885MMP1 16/4885MMP2 2/4885

“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.