SCHEMBL6068753

SCHEMBL6068753

CC(C)(C)OC(=O)N(c1ccccc1O)[C@H](CS)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
MMP13 P45452 1/20 0.34
SLC7A5 Q01650 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
PPARD Q03181 2/20 0.32

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
SCHEMBL6069073 1.00 L3MBTL1 (0.36) L3MBTL1MMP13SLC7A5ITGA4ITGB7
SCHEMBL6068981 1.00 L3MBTL1 (0.36) L3MBTL1MMP13SLC7A5ITGA4ITGB7
SCHEMBL6068849 0.79 CTSS (0.34) L3MBTL1MMP13SLC7A5AAK1PPARG
SCHEMBL7276228 0.74 L3MBTL1 (0.47) L3MBTL1
SCHEMBL7993296 0.74 CYP2C19 (0.37) L3MBTL1MMP13
SCHEMBL2580570 0.74 L3MBTL1 (0.47) L3MBTL1
SCHEMBL2945259 0.74 SMN1; SMN2 (0.39) L3MBTL1MMP13SLC7A5AAK1
SCHEMBL7993292 0.74 CYP2C19 (0.37) L3MBTL1MMP13
SCHEMBL1926702 0.72 L3MBTL1 (0.41) L3MBTL1
SCHEMBL1928928 0.72 L3MBTL1 (0.40) L3MBTL1

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
US-7109234-B2 Benzoxathiepine derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2006-09-19 US disclosed
EP-1370547-B1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PF MEDICAMENT (FR) 2004-09-15 EP disclosed
US-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2004-07-01 US disclosed
EP-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 WO 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-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines CYP4A11, CYP3A4, CYP4F11 L3MBTL1 3897/4885MMP13 1878/4885SLC7A5 1500/4885

“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.