SCHEMBL7076018

SCHEMBL7076018

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ PLA2G4B P0C869 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PPARA Q07869 4/20 0.43
▸ PPARG P37231 3/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KCNA3 P22001 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7080512 0.88 PPARA (0.44) PLA2G4BL3MBTL1PPARAPPARGMAPK1
SCHEMBL7077468 0.86 CHRNB2 (0.46) —
SCHEMBL7080645 0.84 TDP1 (0.41) PLA2G4BTDP1L3MBTL1PPARAPPARG
SCHEMBL7074958 0.76 HCRTR2 (0.38) —
SCHEMBL7080648 0.74 PKM (0.44) PKMTDP1L3MBTL1PPARAPPARG
SCHEMBL6535231 0.74 KCNA3 (0.68) PLA2G4BKCNA3RECQLHDAC1HDAC2
SCHEMBL5640766 0.73 HDAC1 (0.54) PKMPLA2G4BL3MBTL1KCNA3RECQL
SCHEMBL10531657 0.73 PPARG (0.54) PLA2G4BTDP1PPARAPPARGALOX5
SCHEMBL5520904 0.72 ACE (0.52) PPARAPPARG
SCHEMBL7134517 0.72 PPARA (0.40) PLA2G4BPPARAPPARGHPGDMAPK1

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 PKM 3054/4885PLA2G4B 2810/4885TDP1 2654/4885

“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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