SCHEMBL3218808

SCHEMBL3218808

COc1ccc(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)cc1Oc1c(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)ccc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TAS2R14 Q9NYV8 5/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
PTGER1 P34995 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
MMP3 P08254 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CNR2 P34972 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4600615 0.85 ALDH1A1 (0.36) ALDH1A1TAS2R14LMNASMN1; SMN2TSHR
SCHEMBL15495285 0.83 BMP1 (0.43) ALDH1A1TAS2R14LMNASMN1; SMN2HTT
SCHEMBL4601251 0.80 BMP1 (0.35) ALDH1A1TAS2R14LMNASMN1; SMN2HTT
SCHEMBL6765985 0.80 ALDH1A1 (0.44) ALDH1A1TAS2R14LMNASMN1; SMN2TSHR
SCHEMBL25307327 0.80 MAPT (0.45) ALDH1A1TAS2R14LMNASMN1; SMN2TSHR
SCHEMBL12205672 0.78 CNR2 (0.56) TAS2R14MAPTCNR2
SCHEMBL15056437 0.75 TAS2R14 (0.40) ALDH1A1TAS2R14LMNASMN1; SMN2TSHR
SCHEMBL30701971 0.74 CNR2 (0.46) TAS2R14LMNATSHRHTTCNR2
SCHEMBL27192066 0.74 CNR2 (0.46) TAS2R14LMNATSHRHTTCNR2
SCHEMBL31551717 0.73 LMNA (0.38) ALDH1A1TAS2R14LMNASMN1; SMN2MAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US claimed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US claimed
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
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-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 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
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US 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 ALDH1A1 212/4885TAS2R14 4759/4885LMNA 1909/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 ALDH1A1 118/4885TAS2R14 4678/4885LMNA 2486/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 ALDH1A1 212/4885TAS2R14 4759/4885LMNA 1909/4885

“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.