SCHEMBL4887402

SCHEMBL4887402

COCCN(CC(=O)O)Cc1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR2 O43614 3/20 0.33
AKT1 P31749 1/20 0.33
NR1D1 P20393 1/20 0.32
SLC6A9 P48067 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TBXAS1 P24557 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL14019437 0.87 MEN1 (0.34) MEN1KMT2APPARGALDH1A1AKT1
SCHEMBL14019514 0.85 MAOB (0.40) MEN1KMT2A
SCHEMBL6780618 0.80 PPARA (0.44) PPARGPPARASMN1; SMN2HCRTR2L3MBTL1
SCHEMBL4879297 0.79 PPARA (0.46) PPARGPPARAPPARD
SCHEMBL4884303 0.77 TBXAS1 (0.38) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL6778205 0.77 PPARA (0.40) MEN1KMT2APPARGPPARASMN1; SMN2
SCHEMBL6776423 0.77 CA12 (0.40) PPARGPPARAPPARD
SCHEMBL6774971 0.76 ALDH1A1 (0.36) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL6780585 0.75 PPARA (0.38) MEN1KMT2APPARGPPARAHCRTR2
SCHEMBL4888672 0.74 MAOA (0.39) PPARGPPARATBXAS1PPARD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST MEN1 3804/4885KMT2A 2353/4885PPARG 117/4885

“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.