SCHEMBL7080645

SCHEMBL7080645

CC(C)C(CSCCCOc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ PPARA Q07869 3/20 0.40
▸ PLA2G4B P0C869 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ ALOX5 P09917 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
SCHEMBL7134517 0.88 PPARA (0.40) PPARAPLA2G4BHPGDALDH1A1PPARG
SCHEMBL7073655 0.87 CHRNB2 (0.42) —
SCHEMBL7076018 0.84 PKM (0.44) TDP1PPARAPLA2G4BHDAC1HDAC2
SCHEMBL7077804 0.79 HCRTR2 (0.40) —
SCHEMBL7080512 0.73 PPARA (0.44) PPARAPLA2G4BL3MBTL1ALDH1A1PPARG
SCHEMBL7077468 0.72 CHRNB2 (0.46) —
SCHEMBL6819996 0.72 LTA4H (0.45) TDP1PPARAHPGDL3MBTL1KDM4E
SCHEMBL7759139 0.72 MAPK1 (0.45) TDP1PPARAHPGDALDH1A1RECQL
SCHEMBL7759143 0.72 MAPK1 (0.45) TDP1PPARAHPGDALDH1A1RECQL
SCHEMBL6945866 0.72 MAPK1 (0.45) TDP1PPARAHPGDALDH1A1RECQL

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 TDP1 2654/4885PPARA 761/4885PLA2G4B 2810/4885

“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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