SCHEMBL5860026

SCHEMBL5860026

COC(=O)CC1Cc2cc(S)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
MIF P14174 6/20 0.40
HDAC6 Q9UBN7 1/20 0.40
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MTNR1A P48039 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
SCHEMBL10257134 0.84 HRH3 (0.60) HRH3MIFGAAMTNR1A
SCHEMBL28456006 0.80 GPBAR1 (0.46) HRH3MIFHDAC6
SCHEMBL5861966 0.80 GPBAR1 (0.46) HRH3MIFHDAC6
SCHEMBL5859718 0.80 TBXA2R (0.43) HRH3MIFHDAC6USP2GAA
SCHEMBL28289580 0.77 MIF (0.49) MIFHDAC6
SCHEMBL28938413 0.76 HRH4 (0.43) HRH3MIFHDAC6HRH4
SCHEMBL28938418 0.75 HTR4 (0.37) MIFHDAC6GAA
SCHEMBL5640207 0.74 CYP4F2 (0.47) MIF
SCHEMBL5861997 0.74 BRD4 (0.41) MIFHDAC6GAAMEN1KMT2A
SCHEMBL18160778 0.72 GAA (0.48) USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (3 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG HRH3 2759/4885MIF 3317/4885HDAC6 290/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG HRH3 2759/4885MIF 3317/4885HDAC6 290/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG HRH3 2759/4885MIF 3317/4885HDAC6 290/4885

“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.