SCHEMBL3207063

SCHEMBL3207063

COCCOc1ccc(/C=C/C(=O)O)c(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
CYP1A1 P04798 4/20 0.47
CYP1B1 Q16678 4/20 0.47
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SCN8A Q9UQD0 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3207073 1.00 PPARG (0.51) PPARGCYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL3208653 1.00 PPARG (0.51) PPARGCYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL3206898 0.83 PPARG (0.69) PPARGCYP1A1CYP1B1MAPTPPARD
SCHEMBL3206915 0.83 PPARG (0.69) PPARGCYP1A1CYP1B1MAPTPPARD
SCHEMBL3215758 0.83 PPARG (0.77) PPARGCYP1A1CYP1B1
SCHEMBL3215769 0.83 PPARG (0.77) PPARGCYP1A1CYP1B1
SCHEMBL3218881 0.80 GAA (0.46) PPARGMAPTLMNAMEN1KMT2A
SCHEMBL3218889 0.80 GAA (0.46) PPARGMAPTLMNAMEN1KMT2A
SCHEMBL3218876 0.80 GAA (0.46) PPARGMAPTLMNAMEN1KMT2A
SCHEMBL3206835 0.79 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 31/4885CYP1A1 2809/4885CYP1B1 2548/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885CYP1A1 2059/4885CYP1B1 2202/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885CYP1A1 2809/4885CYP1B1 2548/4885

“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.