SCHEMBL6068672

SCHEMBL6068672

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TK1 P04183 2/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
AGTR1 P30556 1/20 0.39
BACE1 P56817 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CTSK P43235 3/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SCN5A Q14524 1/20 0.33
DUT P33316 1/20 0.33

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
SCHEMBL6068674 1.00 MTNR1A (0.40) MTNR1AMTNR1BTK1LMNACYP1A2
SCHEMBL6068667 1.00 MTNR1A (0.40) MTNR1AMTNR1BTK1LMNACYP1A2
SCHEMBL6068595 0.85 MTNR1A (0.36) MTNR1AMTNR1BTK1LMNACYP1A2
SCHEMBL6068591 0.85 MTNR1A (0.36) MTNR1AMTNR1BTK1LMNACYP1A2
SCHEMBL6068598 0.85 MTNR1A (0.36) MTNR1AMTNR1BTK1LMNACYP1A2
SCHEMBL6068590 0.78 CYP1A2 (0.54) MTNR1AMTNR1BLMNACYP1A2AGTR1
SCHEMBL6068589 0.78 CYP1A2 (0.54) MTNR1AMTNR1BLMNACYP1A2AGTR1
SCHEMBL6068594 0.78 CYP1A2 (0.54) MTNR1AMTNR1BLMNACYP1A2AGTR1
SCHEMBL773403 0.77 MTNR1A (0.46) MTNR1AMTNR1BLMNACYP1A2AGTR1
SCHEMBL2111572 0.75 KIF11 (0.50) TK1LMNATSHRCTSKKIF11

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 185/4885TK1 3042/4885

“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.