SCHEMBL3548104

SCHEMBL3548104

CCCc1cc(-c2noc3cc(Cl)ccc23)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL13114528 0.91 PPARG (0.42) PPARGPPARDPPARAESR1ESR2
SCHEMBL3546532 0.87 PPARG (0.46) PPARGPPARDPPARAESR1ESR2
SCHEMBL3551384 0.87 MAP2K4 (0.36) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3544800 0.86 PPARG (0.34) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3554183 0.85 NR1H2 (0.35) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3553672 0.85 KDM4E (0.37)
SCHEMBL5822442 0.81 PPARG (0.47) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5630819 0.81 PPARG (0.47) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5175221 0.81 PPARG (0.47) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3545277 0.80 PPARG (0.42) PPARGPPARDPPARAESR1ESR2

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.