SCHEMBL3204752

SCHEMBL3204752

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.44
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
PDE5A O76074 1/20 0.38
PDE9A O76083 1/20 0.38
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3204742 1.00 PPARG (0.54) PPARGPTGDR2KCNJ6KCNJ5KCNJ3
SCHEMBL3212898 0.87 PPARG (0.71) PPARGPTGDR2
SCHEMBL3212887 0.87 PPARG (0.71) PPARGPTGDR2
SCHEMBL3208276 0.87 PPARG (0.49) PPARGPTGDR2FAAHNPC1SLC16A3
SCHEMBL3208264 0.87 PPARG (0.49) PPARGPTGDR2FAAHNPC1SLC16A3
SCHEMBL3204985 0.87 PPARG (0.64) PPARGNPC1SLC16A3SLC16A1MCTS1
SCHEMBL3204975 0.87 PPARG (0.64) PPARGNPC1SLC16A3SLC16A1MCTS1
SCHEMBL3212803 0.86 NPC1 (0.52) PPARGPTGDR2FAAHNPC1SLC16A3
SCHEMBL3212820 0.86 NPC1 (0.52) PPARGPTGDR2FAAHNPC1SLC16A3
SCHEMBL3206847 0.85 PPARG (0.49) PPARGPTGDR2KCNJ6KCNJ5KCNJ3

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
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 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 (4 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 31/4885PTGDR2 1289/4885KCNJ6 3589/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885PTGDR2 2631/4885KCNJ6 859/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885PTGDR2 1005/4885KCNJ6 3134/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885PTGDR2 1289/4885KCNJ6 3589/4885

“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.