SCHEMBL3208042

SCHEMBL3208042

CCCCCS(=O)(=O)NC(=O)C=Cc1ccc(OCCOC)cc1Oc1ncc([N+](=O)[O-])cc1C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.70
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3208033 1.00 PPARG (0.70) PPARGKDM4ETP53MEN1MAPT
SCHEMBL3206742 0.88 PPARG (0.74) PPARG
Hydrochloric Acid SCHEMBL3219509 0.88 PPARG (0.74) PPARG
Hydrochloric Acid SCHEMBL3219493 0.88 PPARG (0.74) PPARG
SCHEMBL3206755 0.88 PPARG (0.74) PPARG
SCHEMBL3217839 0.87 PPARG (0.72) PPARG
SCHEMBL3213778 0.87 PPARG (0.72) PPARG
SCHEMBL3217816 0.87 PPARG (0.72) PPARG
SCHEMBL3213766 0.87 PPARG (0.72) PPARG
SCHEMBL3206646 0.86 PPARG (0.71) PPARG

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 31/4885KDM4E 1872/4885TP53 2684/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885KDM4E 2362/4885TP53 2792/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885KDM4E 1872/4885TP53 2684/4885

“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.