SCHEMBL7078652

SCHEMBL7078652

O=C(c1ccc(S(=O)(=O)CC(CCCN2C(=O)CCC2=O)C(=O)O)cc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.49
MMP2 P08253 4/20 0.49
MMP3 P08254 4/20 0.49
MMP9 P14780 4/20 0.49
MMP8 P22894 4/20 0.49
HPGD P15428 6/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGDS O60760 1/20 0.39
HTT P42858 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7079056 0.87 MMP2 (0.65) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7078207 0.84 MMP2 (0.53) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7075248 0.81 MMP2 (0.76) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7080824 0.78 MMP13 (0.48) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7075454 0.77 POLB (0.46) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7507734 0.74 MMP2 (0.47) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6578094 0.74 MMP2 (0.65) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7075243 0.72 MMP13 (0.43) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7078100 0.72 MMP2 (0.44) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7074729 0.72 MMP13 (0.40) 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 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 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.