SCHEMBL6068686

SCHEMBL6068686

O=C1COc2ccccc2SC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.37
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.35
ALOX5 P09917 1/20 0.35
DAO P14920 2/20 0.35
PKM P14618 2/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TERT O14746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD17B3 P37058 1/20 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
SCHEMBL868520 0.74 ABCG2 (0.52) OXTRMAOBMAOAALOX5PKM
SCHEMBL8293236 0.72 OXTR (0.39) OXTRMAOBMAOAALOX5DAO
SCHEMBL11471942 0.72 ALDH1A1 (0.33) MAOBMAOAPKMTSHRACHE
SCHEMBL10512084 0.72 MAOB (0.50) MAOBMAOAALOX5MAPTHPGD
SCHEMBL57996 0.70
SCHEMBL29395105 0.70
SCHEMBL6225505 0.69 CYP1A2 (0.52) MAOAACHEMAPTHPGDALDH1A1
SCHEMBL255962 0.69 ITGB2 (0.52) OXTRABCG2ITGB2ICAM1ITGAL
SCHEMBL29395580 0.69 ITGB2 (0.52) OXTRABCG2ITGB2ICAM1ITGAL
SCHEMBL11064158 0.68 MAOA (0.52) OXTRMAOBMAOAACHEMAPT

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 OXTR 104/4885MAOB 263/4885MAOA 397/4885

“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.