SCHEMBL3550857

SCHEMBL3550857

CCCc1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.39
PPARA Q07869 7/20 0.39
PPARD Q03181 2/20 0.39
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.34
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
HAO1 Q9UJM8 1/20 0.32
LTB4R Q15722 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
SCHEMBL3549278 0.90 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL13134449 0.90 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3547512 0.89 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3552987 0.89 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3547453 0.89 PPARG (0.49) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3555006 0.88 PPARG (0.42) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL13114510 0.87 PPARG (0.40) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3551254 0.87 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL13114507 0.86 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3550957 0.86 PPARG (0.39) PPARGPPARAPPARDNR1H2NR1H3

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 3/4885PPARA 2/4885PPARD 1/4885

“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.