SCHEMBL7073227

SCHEMBL7073227

O=C(O)C(CCCc1ccccc1)CSc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
DPP4 P27487 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
PLA2G2A P14555 2/20 0.44
TRPV1 Q8NER1 3/20 0.43
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
LAP3 P28838 1/20 0.43
ENPEP Q07075 1/20 0.43
BACE1 P56817 1/20 0.42
FOLH1 Q04609 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
SCHEMBL7080529 0.91 GRIK1 (0.57) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7077527 0.86 MMP2 (0.60) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7077707 0.85 GRIK1 (0.49) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7080810 0.85 GRIK1 (0.51) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7079861 0.84 MMP2 (0.59) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7078743 0.84 GRIK1 (0.48) GRIK1MMP1MMP2MMP3
SCHEMBL7077681 0.82 GRIK1 (0.46) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7078108 0.82 NPC1 (0.50) GRIK1MMP2MMP3
SCHEMBL11212110 0.81 GAA (0.41) GRIK1
SCHEMBL7077709 0.81 MMP2 (0.53) GRIK1MMP1MMP2MMP3MMP9

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 3 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
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 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 GRIK1 701/4885DPP4 288/4885MMP1 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.