SCHEMBL6068965

SCHEMBL6068965

CC(C)(C)OC(=O)N[C@@H]1COc2ccccc2SC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.45
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ SCN5A Q14524 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ DRD2 P14416 2/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ MALT1 Q9UDY8 2/20 0.37
▸ BTK Q06187 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
SCHEMBL6068960 1.00 EPHX2 (0.45) EPHX2KDM1AMAOBSCN5AKMT2A
SCHEMBL22472834 0.79 EPHX2 (0.59) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL7070336 0.76 KDM1A (0.41) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL30799332 0.75 GAA (0.52) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL5322132 0.75 KDM1A (0.44) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL19667663 0.73 EPHX2 (0.43) EPHX2KDM1AMAOBSCN5AKMT2A
SCHEMBL19054490 0.73 TP53 (0.44) EPHX2KDM1AMAOBSCN5AKMT2A
SCHEMBL7594703 0.73 MTNR1A (0.44) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL31563969 0.73 EPHX2 (0.42) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL874562 0.72 EPHX2 (0.43) EPHX2KDM1AMAOBKMT2AL3MBTL1

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 EPHX2 2150/4885KDM1A 3073/4885MAOB 263/4885

“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.

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