SCHEMBL3207095

SCHEMBL3207095

CC(C)Oc1cc(CCC(=O)O)n(Cc2ccc(F)cc2F)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.68
PTGER1 P34995 3/20 0.42
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR Q13258 1/20 0.38

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
SCHEMBL3208041 0.88 PPARG (0.53) PPARGPTGER1ALDH1A1
SCHEMBL5112518 0.85 PPARG (0.48) PPARGPTGER1
SCHEMBL3217673 0.81 PPARG (1.00) PPARG
SCHEMBL3202860 0.80 PPARG (0.74) PPARG
SCHEMBL5112208 0.79 PPARG (0.76) PPARGPTGER1PTGDR2
SCHEMBL3209272 0.79 PPARG (0.77) PPARGPTGDR2
SCHEMBL5120924 0.78 PPARG (0.64) PPARG
SCHEMBL5119845 0.78 PPARG (0.64) PPARG
SCHEMBL5112535 0.74 PPARG (0.59) PPARG
SCHEMBL5106857 0.74 PPARG (0.59) PPARG

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 31/4885PTGER1 1992/4885ALDH1A1 212/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885PTGER1 1500/4885ALDH1A1 118/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885PTGER1 1992/4885ALDH1A1 212/4885

“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.