SCHEMBL6069059

SCHEMBL6069059

CC(C)(C)OC(=O)[C@@H]1CSc2ccccc2OC1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ ADRA1A P35348 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL7070336 0.68 KDM1A (0.41) MEN1KMT2AKDM1A
SCHEMBL6068960 0.68 EPHX2 (0.45) KMT2AKDM1A
SCHEMBL6068965 0.68 EPHX2 (0.45) KMT2AKDM1A
SCHEMBL29605518 0.67 POLB (0.38) BCHESIRT1SIRT2TSHRKDM4E
SCHEMBL2483815 0.66 ALDH1A1 (0.44) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL15630770 0.63 EPHX2 (0.37) SIRT1SIRT2MEN1KMT2AKDM1A
SCHEMBL15630795 0.63 EPHX2 (0.37) SIRT1SIRT2MEN1KMT2AKDM1A
SCHEMBL9753155 0.63 MAOA (0.39) NISCHSIRT1SIRT2TSHR
SCHEMBL19980128 0.63 KDM4E (0.44) BCHETSHRMEN1KMT2AKDM4E
SCHEMBL24214454 0.63 NISCH (0.46) NISCHADRA1ATP53CYP1A2CYP3A4

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 2 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
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 BCHE 1825/4885NISCH 1540/4885SIRT1 2978/4885

“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.

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