SCHEMBL3550873

SCHEMBL3550873

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SLC6A4 P31645 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PPARG P37231 4/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
SRD5A2 P31213 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3548216 0.92 LMNA (0.38) NR1H2NR1H3KDM4EPOLBSLC6A2
SCHEMBL3544113 0.91 PPARG (0.39) LPAR1LPAR5NR1H2NR1H3SLC6A4
SCHEMBL3548517 0.90 PPARG (0.40) NR1H2NR1H3KDM4EPOLBPPARG
SCHEMBL3553710 0.87 HCAR2 (0.38) LPAR1LPAR5NR1H2NR1H3KDM4E
SCHEMBL3547959 0.84 PPARG (0.40) NR1H2NR1H3SLC6A4HRH3SLC6A2
SCHEMBL14459759 0.83 PPARG (0.46) NR1H2NR1H3KDM4EPPARGPPARD
SCHEMBL5175340 0.83 PPARG (0.46) NR1H2NR1H3KDM4EPPARGPPARD
SCHEMBL3548346 0.80 PPARG (0.37) NR1H2NR1H3SLC6A4HRH3SLC6A2
SCHEMBL3659685 0.79 PPARG (0.40) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3659688 0.79 PPARG (0.40) NR1H2NR1H3PPARGPPARDPPARA

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 10 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
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO 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 LPAR1 2220/4885LPAR5 1378/4885NR1H2 17/4885

“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.