SCHEMBL6068629

SCHEMBL6068629

Cc1ccc2c(c1)SC[C@H](N)CO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CA2 P00918 1/20 0.35
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.32
MMP12 P39900 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 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
SCHEMBL2069021 0.76 NISCH (0.39) CA2HTR1ASLC6A2ALDH1A1
SCHEMBL2071541 0.76 NISCH (0.39) CA2HTR1ASLC6A2ALDH1A1
SCHEMBL6069296 0.76 NISCH (0.39) CA2HTR1ASLC6A2ALDH1A1
SCHEMBL18365857 0.75 CA2 (0.47) CYP19A1CA2HTR1ASLC6A2HTR2C
SCHEMBL3356952 0.73 MAPT (0.39) CYP19A1CA2HTR1ASLC6A2HTR2C
SCHEMBL3329915 0.70 CTNNB1 (0.47) MAPTALDH1A1GAAHSD17B10EPHX2
Hydrochloric Acid SCHEMBL21810836 0.70 HTR7 (0.40) CYP19A1CA2
Hydrochloric Acid SCHEMBL21810835 0.70 HTR7 (0.40) CYP19A1CA2
SCHEMBL6068844 0.68 MAP3K14 (0.35) SLC6A2
SCHEMBL6068846 0.68 MAP3K14 (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 7 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
CN-1264836-C Benzoxathiepine derivatives and their use in the preparation of medicaments PF MEDICAMENT (FR) 2006-07-19 CN 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
CN-1505623-A Benzoxathiepine derivatives and their use as pharmaceuticals Ƥ����������ҽҩ��˾ 2004-06-16 CN 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 CYP19A1 31/4885CA2 1927/4885HTR1A 360/4885

“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.