SCHEMBL1759948

SCHEMBL1759948

CC(C)(C)OC(=O)NC(CO)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
APP P05067 3/20 0.47
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
PPARD Q03181 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL1759944 1.00 ATM (0.56) ATMAPPCTSSCTSKPPARG
SCHEMBL15564732 0.91 RXRA (0.54) ATMPPARGPPARAITGB3ITGA2B
SCHEMBL21447185 0.88 ATM (0.52) ATMAPPCTSSCTSKPPARG
SCHEMBL18930692 0.88 ATM (0.52) ATMAPPCTSSCTSKPPARG
SCHEMBL271855 0.87 ATM (0.71) ATMAPPCTSSCTSKPPARG
SCHEMBL1529562 0.87 ATM (0.71) ATMAPPCTSSCTSKPPARG
SCHEMBL257912 0.87 ATM (0.71) ATMAPPCTSSCTSKPPARG
SCHEMBL21676555 0.86 ATM (0.55) ATMAPPCTSSCTSKPPARG
SCHEMBL6479279 0.86 CTSS (0.57) ATMAPPCTSSCTSKPPARA
SCHEMBL10076447 0.86 ATM (0.55) ATMAPPCTSSCTSKPPARG

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
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (1 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R ATM 1861/4885APP 82/4885CTSS 3650/4885

“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.