SCHEMBL3205336

SCHEMBL3205336

CC(C)c1cc(CO)n(Cc2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.57
PDE2A O00408 1/20 0.42
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
CCR2 P41597 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
FAAH O00519 1/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 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
SCHEMBL5120324 0.89 PPARG (0.61) PPARGPDE2AKCNJ6KCNJ5KCNJ3
SCHEMBL3212661 0.84 NPC1 (0.49) PPARGPTGDR2CCR2TRPV1SLC16A3
SCHEMBL3195607 0.84 PPARG (0.66) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL3207494 0.83 PPARG (0.53) PPARGSMN1; SMN2SLC16A3SLC16A1MCTS1
SCHEMBL27737192 0.82 PPARG (0.63) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL4613928 0.81 NPC1 (0.54) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL3216857 0.80 PPARG (0.64) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL27737140 0.80 PPARG (0.57) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL3216249 0.80 PPARG (0.58) PPARGKCNJ6KCNJ5KCNJ3PTGDR2
SCHEMBL3206847 0.80 PPARG (0.49) PPARGPDE2AKCNJ6KCNJ5KCNJ3

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 7 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-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
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 (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 31/4885PDE2A 260/4885KCNJ6 3589/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885PDE2A 4406/4885KCNJ6 859/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885PDE2A 390/4885KCNJ6 3134/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885PDE2A 260/4885KCNJ6 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.