SCHEMBL6883788

SCHEMBL6883788

O=C(O)CCN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.74
▸ POLB P06746 4/20 0.71
▸ CTNNB1 P35222 1/20 0.68
▸ TCF7L2 Q9NQB0 1/20 0.68
▸ CISD1 Q9NZ45 2/20 0.66
▸ MAOA P21397 1/20 0.66
▸ TAS2R14 Q9NYV8 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ PLA2G1B P04054 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ ATG4B Q9Y4P1 1/20 0.62
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ AKR1B1 P15121 3/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HTT P42858 1/20 0.59

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
SCHEMBL12008442 0.90 PPARG (0.75) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008443 0.89 POLB (0.89) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008494 0.89 PPARG (0.74) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008498 0.89 PPARG (0.70) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008756 0.88 CTNNB1 (0.82) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008535 0.85 CTNNB1 (0.68) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008557 0.85 PPARG (0.66) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008500 0.85 PPARG (0.71) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008501 0.85 PPARG (0.83) PPARGPOLBCTNNB1TCF7L2CISD1
SCHEMBL12008499 0.85 PPARG (1.00) PPARGPOLBCTNNB1TCF7L2CISD1

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-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 — — US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 — — US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 — — EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — 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-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 PPARG 138/4885POLB 2514/4885CTNNB1 3198/4885

“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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