SCHEMBL3497367

SCHEMBL3497367

[CH2]OC(=O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3497368 0.74 TDP1 (0.38) TDP1EYA2APPACEBLM
SCHEMBL9167907 0.73 TDP1 (0.33) TDP1EYA2APPACEBLM
SCHEMBL514694 0.70
SCHEMBL7718304 0.69 TDP1 (0.43) TDP1EYA2APPACEBLM
SCHEMBL4689987 0.69 TDP1 (0.43) TDP1EYA2APPACEBLM
SCHEMBL78691 0.69 CA14 (0.41) TDP1EYA2APPACEBLM
SCHEMBL562965 0.67 TDP1 (0.47) TDP1EYA2APPACEBLM
SCHEMBL6792984 0.67 TDP1 (0.47) TDP1EYA2APPACEBLM
SCHEMBL14883193 0.67 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL31542970 0.66 TSHR (0.37) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US claimed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP 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 (2 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA TDP1 4280/4885EYA2 2928/4885APP 3511/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TDP1 4250/4885EYA2 1054/4885APP 3271/4885

“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.