SCHEMBL3213089

SCHEMBL3213089

COCCOc1ccc(C=CC(=O)O)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
HDAC8 Q9BY41 4/20 0.44
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
PTGS2 P35354 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
SCHEMBL3213077 1.00 PPARG (0.46) PPARGCYP1A1CYP1B1HDAC8POLB
SCHEMBL3901322 0.86 MAPT (0.55) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL3902810 0.86 MAPT (0.55) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL13168891 0.79 MAPT (0.61) CYP1A1CYP1B1HDAC8MEN1KMT2A
SCHEMBL8420226 0.78 TUBB1 (0.41) PPARGKMT2AALDH1A1MAPT
SCHEMBL18538454 0.78 CYP1A1 (0.50) CYP1A1CYP1B1HDAC8ALDH1A1MAPT
SCHEMBL3208404 0.77 HDAC8 (0.64) HDAC8ALDH1A1MAPTPLA2G2D
SCHEMBL3204781 0.77 GAA (0.49) PPARGCYP1A1CYP1B1HDAC8POLB
SCHEMBL3204757 0.77 GAA (0.49) PPARGCYP1A1CYP1B1HDAC8POLB
SCHEMBL3208391 0.77 HDAC8 (0.64) HDAC8ALDH1A1MAPTPLA2G2D

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 3 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-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US 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.