SCHEMBL6069094

SCHEMBL6069094

COc1ccccc1SCC(CO)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
AGTR1 P30556 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 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
SCN5A Q14524 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 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
SCHEMBL6069095 1.00 MTNR1A (0.46) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL6068589 0.82 CYP1A2 (0.54) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL6068590 0.82 CYP1A2 (0.54) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL6068594 0.82 CYP1A2 (0.54) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL2207267 0.82 MTNR1A (0.47) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL2206369 0.82 MTNR1A (0.47) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL10509506 0.80 MTNR1A (0.46) MTNR1AMTNR1BAGTR1TSHRKMT2A
SCHEMBL6068727 0.79 MTNR1A (0.44) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL6068723 0.79 MTNR1A (0.44) MTNR1AMTNR1BAGTR1LMNACYP1A2
SCHEMBL14784609 0.78 MTNR1A (0.47) MTNR1AMTNR1BTSHRKMT2ACA1

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 3 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

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 185/4885AGTR1 343/4885

“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.