SCHEMBL3211257

SCHEMBL3211257

CCCCCS(=O)(=O)NC(=O)C=Cc1ccc(OCCOC)cc1OCC1CCCO1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.60
APP P05067 1/20 0.48
MAPT P10636 1/20 0.48
SCN9A Q15858 1/20 0.42
HDAC8 Q9BY41 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3211247 1.00 PPARG (0.60) PPARGAPPMAPTSCN9AHDAC8
SCHEMBL3217303 0.88 PPARG (0.66) PPARGHDAC8
SCHEMBL3217283 0.88 PPARG (0.66) PPARGHDAC8
SCHEMBL3216162 0.87 PPARG (0.63) PPARGSCN9AHDAC8
SCHEMBL3216149 0.87 PPARG (0.63) PPARGSCN9AHDAC8
SCHEMBL3218961 0.83 PPARG (0.66) PPARGHDAC8
SCHEMBL3218950 0.83 PPARG (0.66) PPARGHDAC8
SCHEMBL3202441 0.82 PPARG (0.56) PPARGSCN9A
SCHEMBL3209900 0.82 MAPT (0.55) APPMAPTSCN9AHDAC8KDM4E
SCHEMBL3209916 0.82 MAPT (0.55) APPMAPTSCN9AHDAC8KDM4E

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 31/4885APP 3197/4885MAPT 4588/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885APP 3588/4885MAPT 4612/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885APP 3197/4885MAPT 4588/4885

“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.