SCHEMBL3564585

SCHEMBL3564585

CCCc1cc(Oc2ccc(Cl)cc2)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 2/20 0.43
HTR2A P28223 4/20 0.39
SLC6A4 P31645 4/20 0.39
KCNH2 Q12809 4/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
SOS1 Q07889 1/20 0.37
EPAS1 Q99814 1/20 0.36

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
SCHEMBL28334586 0.77 SLC6A2 (0.40) SLC6A4HTR1AHTR1DHTR1BDRD2
SCHEMBL7448851 0.74 GAA (0.51) PPARGPPARAPPARD
SCHEMBL4376769 0.73 DRD2 (0.46) HTR1AHTR1DHTR1BDRD2DRD1
SCHEMBL5153519 0.72 PPARD (0.42) PPARGPPARAPPARDHTR1AHTR1D
SCHEMBL1023633 0.72 PPARG (0.46) PPARGPPARAPPARDDRD2DRD1
SCHEMBL2941459 0.72 CA2 (0.57) PPARGPPARADRD2DRD1DRD4
SCHEMBL36007 0.72 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL5156376 0.71 ESR1 (0.50) PPARGPPARAPPARD
SCHEMBL3550087 0.70 AKR1B1 (0.45) PPARGPPARAHTR2ASLC6A4KCNH2
SCHEMBL7369905 0.70 POLB (0.53) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861382-B1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-7834036-B2 Fused-aromatic compounds having anti-diabetic activity MERCK SHARP & DOHME CORP (US) 2010-11-16 US disclosed
US-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity MERCK SHARP & DOHME LLC 2008-08-14 US disclosed
EP-1861382-A1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2007-12-05 EP disclosed
WO-2006096564-A1 FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2006-09-14 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-20080194586-A1 Fused-Aromatic Compounds Having Anti-Diabetic Activity PPARG, PPARA, FABP4 PPARG 1/4885PPARA 2/4885PPARD 4/4885

“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.