SCHEMBL7080512

SCHEMBL7080512

CC(C)C(CSCCCOc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.44
▸ PLA2G4B P0C869 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RARB P10826 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
SCHEMBL7076018 0.88 PKM (0.44) PPARAPLA2G4BPPARGALDH1A1RAB9A
SCHEMBL7134517 0.84 PPARA (0.40) PPARAPLA2G4BPPARGMEN1KMT2A
SCHEMBL7077468 0.78 CHRNB2 (0.46) KMT2ACYP1A2CYP2C19
SCHEMBL28417577 0.77 PPARG (0.55) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL7078220 0.76 MEN1 (0.45) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL7484977 0.74 CASP1 (0.50) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL7080645 0.73 TDP1 (0.41) PPARAPLA2G4BPPARGALDH1A1L3MBTL1
SCHEMBL7484970 0.72 MEN1 (0.47) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL11646535 0.72 PPARA (0.50) PPARAPLA2G4BPPARGMEN1KMT2A
SCHEMBL11596837 0.72 PPARA (0.50) PPARAPPARGMEN1KMT2AALDH1A1

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 PPARA 761/4885PLA2G4B 2810/4885PPARG 790/4885

“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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