SCHEMBL6068844

SCHEMBL6068844

Cc1cccc2c1SCC(N)CO2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
HTR7 P34969 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL6068846 1.00 MAP3K14 (0.35) MAP3K14HTR7CYP2D6SLC6A2SLC6A4
SCHEMBL17861392 0.73 MAP3K14 (0.38) MAP3K14MEN1KMT2A
SCHEMBL6069296 0.73 NISCH (0.39) SLC6A2NISCH
SCHEMBL2071541 0.73 NISCH (0.39) SLC6A2NISCH
SCHEMBL2069021 0.73 NISCH (0.39) SLC6A2NISCH
SCHEMBL19054489 0.71 HTR7 (0.38) MAP3K14HTR7CYP2D6SLC6A2SLC6A4
SCHEMBL8291502 0.70 MTNR1A (0.46) MAP3K14CYP2D6MEN1KMT2A
SCHEMBL7073528 0.68 MAP3K14 (0.35) MAP3K14
SCHEMBL21307339 0.68 MAP3K14 (0.35) MAP3K14HTR7CYP2D6SLC6A2SLC6A4
SCHEMBL6068629 0.68 CYP19A1 (0.35) SLC6A2

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 MAP3K14 2111/4885HTR7 312/4885CYP2D6 10/4885

“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.