SCHEMBL6068403

SCHEMBL6068403

COc1ccccc1SC[C@H](C)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
KMT2A Q03164 2/20 0.41
SCN5A Q14524 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL6068496 1.00 MTNR1A (0.46) MTNR1AMTNR1BKMT2ASCN5ACHRM2
SCHEMBL6068402 1.00 MTNR1A (0.46) MTNR1AMTNR1BKMT2ASCN5ACHRM2
SCHEMBL6069004 0.86 NFE2L2 (0.38) ALDH1A1NFE2L2
SCHEMBL6069001 0.86 NFE2L2 (0.38) ALDH1A1NFE2L2
SCHEMBL6068919 0.85 MTNR1A (0.33) MTNR1AMTNR1BKMT2ASCN5AALDH1A1
SCHEMBL6068920 0.85 MTNR1A (0.33) MTNR1AMTNR1BKMT2ASCN5AALDH1A1
SCHEMBL6068617 0.84 MTNR1A (0.43) MTNR1AMTNR1BKMT2ASCN5ACHRM2
SCHEMBL6068621 0.84 MTNR1A (0.43) MTNR1AMTNR1BKMT2ASCN5ACHRM2
SCHEMBL6068422 0.84 MTNR1A (0.46) MTNR1AMTNR1BKMT2ASCN5ACHRM2
SCHEMBL6068534 0.84 MTNR1A (0.46) MTNR1AMTNR1BKMT2ASCN5ACHRM2

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 185/4885KMT2A 3546/4885

“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.