SCHEMBL5113882

SCHEMBL5113882

CC(C)c1cc(CCCOc2ncccc2CC(=O)O)n(Cc2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.52
PTGDR2 Q9Y5Y4 5/20 0.41
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
P2RX7 Q99572 2/20 0.37
PPARD Q03181 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL5107330 0.89 PPARG (0.59) PPARG
SCHEMBL5105449 0.86 PPARG (0.49) PPARGPTGDR2SLC16A3SLC16A1MCTS1
SCHEMBL5119862 0.83 PPARG (0.52) PPARGPTGDR2PPARD
SCHEMBL27737192 0.81 PPARG (0.63) PPARGPTGDR2KCNJ6KCNJ5KCNJ3
SCHEMBL5106773 0.80 PPARG (0.65) PPARGP2RX7
SCHEMBL5119835 0.80 PPARG (0.74) PPARG
SCHEMBL3195607 0.80 PPARG (0.66) PPARGPTGDR2KCNJ6KCNJ5KCNJ3
SCHEMBL5120324 0.78 PPARG (0.61) PPARGPTGDR2KCNJ6KCNJ5KCNJ3
SCHEMBL5114919 0.77 PPARG (0.61) PPARG
SCHEMBL5119377 0.76 PPARG (0.82) PPARGPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US claimed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP claimed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885PTGDR2 2631/4885SLC16A3 1212/4885

“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.