SCHEMBL3813554

SCHEMBL3813554

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(OCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
F2 P00734 3/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NR1I2 O75469 1/20 0.37
APP P05067 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LTA4H P09960 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
SCHEMBL6761685 0.86 PLA2G2A (0.51)
SCHEMBL11649618 0.84 PTPN1 (0.42) SMN1; SMN2
SCHEMBL3660817 0.83 KEAP1 (0.49) L3MBTL1KEAP1NFE2L2
SCHEMBL11750518 0.83 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL11647026 0.82 PLA2G4B (0.41) SMN1; SMN2CYP3A4ALDH1A1L3MBTL1
SCHEMBL191548 0.82 MAOB (0.50) ALDH1A1KEAP1
SCHEMBL11646838 0.82 PTGS2 (0.41) GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8469252 0.81 PPARG (0.42)
SCHEMBL6607125 0.81 GSTO1 (0.42) GAASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL895556 0.80 MLYCD (0.39) SMN1; SMN2CYP3A4ALDH1A1

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-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU NR1H2 2921/4885GAA 3118/4885SMN1; SMN2 2375/4885

“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.