SCHEMBL7075243

SCHEMBL7075243

O=C(O)C(CCCN1C(=O)CCC1=O)CS(=O)(=O)c1ccc(OCc2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP1 P03956 4/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
ADAM17 P78536 3/20 0.37
P2RX7 Q99572 1/20 0.37
MAPK14 Q16539 1/20 0.36
MAOB P27338 1/20 0.36
RORC P51449 2/20 0.36
CTRC Q99895 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL7078207 0.83 MMP2 (0.53) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7075454 0.82 POLB (0.46) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7080824 0.81 MMP13 (0.48) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7074729 0.80 MMP13 (0.40) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7078100 0.79 MMP2 (0.44) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7079056 0.76 MMP2 (0.65) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7077830 0.74 MMP2 (0.69) MMP13ADAMTS4MMP1MMP2MMP3
SCHEMBL7078652 0.72 MMP1 (0.49) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7077896 0.68 MMP2 (0.60) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7079905 0.68 MMP2 (0.59) MMP13ADAMTS4MMP1MMP2MMP3

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 1/4885ADAMTS4 37/4885MMP1 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.