SCHEMBL3550176

SCHEMBL3550176

CCCc1cc(C(=O)c2ccc(Cl)cc2F)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 4/20 0.34
HRH3 Q9Y5N1 3/20 0.34
PTGER4 P35408 2/20 0.34
PTGER2 P43116 1/20 0.34
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
KCNH2 Q12809 2/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
IGFBP3 P17936 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
SCHEMBL3554176 0.92 PPARG (0.41) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL13135017 0.91 PPARG (0.35) PPARGPPARDPPARASLC6A4HRH3
SCHEMBL3541499 0.91 PPARG (0.40) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL3553710 0.91 HCAR2 (0.38) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL13114527 0.90 PPARG (0.34) PPARGPTGER4PTGER2NR1H2NR1H3
SCHEMBL3547453 0.89 PPARG (0.49) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3544113 0.87 PPARG (0.39) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL3548366 0.85 PPARG (0.38) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL13114507 0.85 PPARG (0.41) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL3546157 0.85 PPARG (0.39) PPARGPPARDPPARANR1H2NR1H3

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-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG PPARG 3/4885PPARD 1/4885PPARA 2/4885

“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.