SCHEMBL1759626

SCHEMBL1759626

CCOC(=O)c1ccc(C[C@@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.44
APP P05067 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL1759628 1.00 ATM (0.52) ATMSMN1; SMN2SYKAPPMAPT
SCHEMBL1759944 0.85 ATM (0.56) ATMAPPMAPTPPARGPPARA
SCHEMBL1759948 0.85 ATM (0.56) ATMAPPMAPTPPARGPPARA
SCHEMBL21676555 0.84 ATM (0.55) ATMSYKAPPPPARGPPARA
SCHEMBL10076447 0.84 ATM (0.55) ATMSYKAPPPPARGPPARA
SCHEMBL12988679 0.84 PDK1 (0.46) ATMSMN1; SMN2MAPTALDH1A1PDK1
SCHEMBL18930692 0.84 ATM (0.52) ATMAPPPPARGPPARACYP3A4
SCHEMBL21447185 0.84 ATM (0.52) ATMAPPPPARGPPARACYP3A4
SCHEMBL3900448 0.83 ATM (0.47) ATMSYKAPPPPARGPPARA
SCHEMBL21852432 0.82 ACACB (0.51) ATM

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 1861/4885SMN1; SMN2 2163/4885SYK 1060/4885

“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.