SCHEMBL6068906

SCHEMBL6068906

CC(CO)CSc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.43
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
TRPA1 O75762 4/20 0.39
BACE1 P56817 1/20 0.38
TSHR P16473 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SIRT1 Q96EB6 1/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 2/20 0.33
ALOX15 P16050 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL6068909 1.00 P4HB (0.43) P4HBMAOAMAOBTRPA1BACE1
SCHEMBL78524 0.85 TSHR (0.46) P4HBMAOAMAOBBACE1TSHR
SCHEMBL20067971 0.82 P4HB (0.46) P4HBMAOAMAOBBACE1TSHR
SCHEMBL11855729 0.81 P4HB (0.45) P4HBMAOAMAOBBACE1TSHR
SCHEMBL2206369 0.77 MTNR1A (0.47) MAOAMAOBTRPA1TSHRPOLB
SCHEMBL2207267 0.77 MTNR1A (0.47) MAOAMAOBTRPA1TSHRPOLB
Ammonia Solution, Strong SCHEMBL7244309 0.76 ALDH1A1 (0.36) MAOAMAOBTRPA1TSHRGABRA1
SCHEMBL79094 0.76 TSHR (0.42) P4HBMAOAMAOBTRPA1BACE1
SCHEMBL96627 0.75 MAOA (0.59) MAOAMAOBTRPA1ALDH1A1
SCHEMBL6068668 0.74 KDM4E (0.44) TSHRALOX15KDM4ECA12ALDH1A1

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 P4HB 297/4885MAOA 397/4885MAOB 263/4885

“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.