SCHEMBL3202809

SCHEMBL3202809

O=C(O)C=Cc1cc(OC2CCOCC2)nn1Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.49
ESR1 P03372 4/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
ENPP2 Q13822 1/20 0.36
LIPE Q05469 1/20 0.36
PDE5A O76074 1/20 0.36
PDE9A O76083 1/20 0.36
FAAH O00519 1/20 0.35
GPER1 Q99527 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL3202795 1.00 PPARG (0.49) PPARGESR1PTGDR2CYP3A4CYP2D6
SCHEMBL3208592 0.89 PPARG (0.45) PPARGCYP3A4CYP2D6CYP2C19
SCHEMBL3208605 0.89 PPARG (0.45) PPARGCYP3A4CYP2D6CYP2C19
SCHEMBL3195528 0.83 PPARG (0.52) PPARGESR1PTGDR2ENPP2FAAH
SCHEMBL3195514 0.83 PPARG (0.52) PPARGESR1PTGDR2ENPP2FAAH
SCHEMBL3202455 0.83 PPARG (0.74) PPARG
SCHEMBL3208583 0.83 PPARG (0.76) PPARGPTGDR2CYP3A4CYP2D6CYP2C19
SCHEMBL3208589 0.83 PPARG (0.76) PPARGPTGDR2CYP3A4CYP2D6CYP2C19
SCHEMBL3202476 0.83 PPARG (0.74) PPARG
SCHEMBL3194609 0.80 PPARG (0.60) PPARGESR1PTGDR2CYP2C19FAAH

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
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885ESR1 3205/4885PTGDR2 1289/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885ESR1 2776/4885PTGDR2 1005/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885ESR1 3205/4885PTGDR2 1289/4885

“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.