SCHEMBL4517565

SCHEMBL4517565

CCCc1nc(Oc2ccc(Cl)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.38
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGER3 P43115 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX3 P56373 4/20 0.32
PPARA Q07869 1/20 0.32
MMP14 P50281 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL4508689 0.86 PPARG (0.37) PPARGALDH1A1RAB9AP2RX3PPARA
SCHEMBL5175346 0.85 PPARG (0.47) PPARGPPARA
SCHEMBL13920129 0.83 PPARG (0.31) PPARGPPARANR1H2NR1H3
SCHEMBL13114529 0.82 PPARG (0.42) PPARGPPARA
SCHEMBL5175243 0.80 PPARG (0.41) PPARG
SCHEMBL3545932 0.79 PPARG (0.39) PPARGPPARANR1H2NR1H3
SCHEMBL14476393 0.79 PPARG (0.40) PPARGPPARANR1H2NR1H3
SCHEMBL3547453 0.78 PPARG (0.49) PPARGPPARANR1H2NR1H3
SCHEMBL13282982 0.76 PPARG (0.37) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5176242 0.76 PTGER3 (0.39) PPARGCYP3A4CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1909789-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007018956-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-02-15 WO disclosed
WO-2007018956-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-02-15 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-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG PPARG 3/4885CYP3A4 297/4885CYP2C8 483/4885

“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.