SCHEMBL7077657

SCHEMBL7077657

CN1C(=O)N(CCCC(CS(=O)(=O)CCCOc2ccc(Cl)cc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 4/20 0.43
MMP9 P14780 2/20 0.43
MMP3 P08254 2/20 0.43
MMP13 P45452 1/20 0.43
MMP1 P03956 2/20 0.42
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 7/20 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
SCHEMBL7080806 0.90 MMP3 (0.51) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6943312 0.86 PLA2G7 (0.43) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL7080541 0.82 PLA2G7 (0.47) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6952641 0.81 MMP2 (0.44) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6946802 0.78 MMP2 (0.40) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6948525 0.78 PLA2G7 (0.54) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6946069 0.77 MMP2 (0.41) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6952582 0.77 MMP2 (0.38) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6948787 0.77 PLA2G7 (0.53) PLA2G7SMN1; SMN2MMP2MMP9MMP3
SCHEMBL6946800 0.77 MMP2 (0.49) PLA2G7SMN1; SMN2MMP2MMP9MMP3

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 PLA2G7 610/4885SMN1; SMN2 3038/4885MMP2 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.