SCHEMBL3196374

SCHEMBL3196374

CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.61
CTSS P25774 3/20 0.57
RAB9A P51151 1/20 0.56
PPARG P37231 2/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KLK5 Q9Y337 4/20 0.50
KLK7 P49862 2/20 0.48
REN P00797 1/20 0.47
SYK P43405 1/20 0.46
ATM Q13315 1/20 0.46
CA1 P00915 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL28594867 0.87 PPARA (0.60) PPARACTSSRAB9APPARGMEN1
SCHEMBL28594865 0.87 PPARA (0.60) PPARACTSSRAB9APPARGMEN1
SCHEMBL25467761 0.85 PPARA (0.63) PPARACTSSRAB9APPARGMEN1
SCHEMBL13537922 0.84 PPARA (0.60) PPARACTSSRAB9APPARGMEN1
SCHEMBL8430071 0.84 PPARA (0.65) PPARACTSSRAB9APPARGKLK5
SCHEMBL8428580 0.84 PPARA (0.65) PPARACTSSRAB9APPARGKLK5
SCHEMBL7338282 0.84 PPARA (0.65) PPARACTSSRAB9APPARGKLK5
SCHEMBL8734610 0.84 PPARA (0.65) PPARACTSSRAB9APPARGKLK5
SCHEMBL212796 0.84 PPARA (0.65) PPARACTSSRAB9APPARGMEN1
SCHEMBL212797 0.84 PPARA (0.65) PPARACTSSRAB9APPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397370-B1 BETA-BENZYLOXYASPARTATE DERIVATIVES WITH AMINO GROUP ON BENZENE RING SUNTORY HOLDINGS LTD (JP) 2014-07-23 EP disclosed
US-7666906-B2 β-Benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2010-02-23 US disclosed
US-7666906-B2 β-Benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2010-02-23 US disclosed
US-20070238783-A1 Beta-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2007-10-11 US disclosed
US-20070238783-A1 Beta-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LIMITED (JP) 2007-10-11 US disclosed
US-7247652-B2 β-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY LIMITED (JP) 2007-07-24 US disclosed
US-7247652-B2 β-benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY LIMITED (JP) 2007-07-24 US disclosed
US-20040242652-A1 Beta benzyloxyaspartate derivatives with amino group on benzene ring SUNTORY HOLDINGS LTD. (JP) 2004-12-02 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 (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-20070238783-A1 Beta-benzyloxyaspartate derivatives with amino group on benzene ring SLC1A5, SLC7A1, SLC1A1 PPARA 2091/4885CTSS 4242/4885RAB9A 2256/4885
US-20040242652-A1 Beta benzyloxyaspartate derivatives with amino group on benzene ring SLC1A5, SLC1A1, SLC7A1 PPARA 1847/4885CTSS 4493/4885RAB9A 2468/4885

“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.