SCHEMBL6068595

SCHEMBL6068595

COc1ccccc1SC[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KIF11 P52732 3/20 0.33
KMT2A Q03164 2/20 0.33
SCN5A Q14524 1/20 0.33
LMNA P02545 2/20 0.31
PPP1CA P62136 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARD Q03181 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TK1 P04183 2/20 0.31
DUT P33316 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL6068598 1.00 MTNR1A (0.36) MTNR1AMTNR1BKIF11KMT2ASCN5A
SCHEMBL6068591 1.00 MTNR1A (0.36) MTNR1AMTNR1BKIF11KMT2ASCN5A
SCHEMBL6068672 0.85 MTNR1A (0.40) MTNR1AMTNR1BKIF11KMT2ASCN5A
SCHEMBL6068674 0.85 MTNR1A (0.40) MTNR1AMTNR1BKIF11KMT2ASCN5A
SCHEMBL6068667 0.85 MTNR1A (0.40) MTNR1AMTNR1BKIF11KMT2ASCN5A
SCHEMBL6069094 0.76 MTNR1A (0.46) MTNR1AMTNR1BKMT2ASCN5ALMNA
SCHEMBL6069095 0.76 MTNR1A (0.46) MTNR1AMTNR1BKMT2ASCN5ALMNA
SCHEMBL18651709 0.74 KIF11 (0.43) KIF11TK1DUT
SCHEMBL23037535 0.72 CYP2C9 (0.45) KIF11LMNATK1DUTALDH1A1
SCHEMBL21525794 0.72 KIF11 (0.42) KIF11TK1DUT

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 MTNR1A 234/4885MTNR1B 185/4885KIF11 2796/4885

“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.