SCHEMBL7079181

SCHEMBL7079181

NC(=O)COc1ccc(SCC(CCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.49
▸ PLA2G4B P0C869 3/20 0.48
▸ PLA2G4A P47712 1/20 0.48
▸ GRIK1 P39086 1/20 0.47
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 4/20 0.41
▸ ALOX5 P09917 3/20 0.41
▸ PTGES O14684 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL7078743 0.83 GRIK1 (0.48) GRIK1MAPTPPARGALOX5PPARA
SCHEMBL7080529 0.83 GRIK1 (0.57) PLA2G2AGRIK1PPARGPPARA
SCHEMBL7073227 0.80 GRIK1 (0.52) PLA2G2AGRIK1BACE1
SCHEMBL7074125 0.79 MMP2 (0.65) GRIK1TP53MAPTPPARGALOX5
SCHEMBL7077527 0.78 MMP2 (0.60) PLA2G2APLA2G4BPLA2G4AGRIK1
SCHEMBL7077707 0.77 GRIK1 (0.49) PLA2G2AGRIK1MAPTPPARGEGFR
SCHEMBL7080810 0.77 GRIK1 (0.51) PLA2G2AGRIK1
SCHEMBL7079861 0.76 MMP2 (0.59) PLA2G2AGRIK1PPARGPPARA
SCHEMBL7077681 0.74 GRIK1 (0.46) PLA2G2AGRIK1EGFR
SCHEMBL7078108 0.74 NPC1 (0.50) GRIK1MAPT

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 4 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
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 — — EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 — — WO 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 PLA2G2A 3265/4885PLA2G4B 2810/4885PLA2G4A 2471/4885

“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.

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