SCHEMBL2288433

SCHEMBL2288433

COc1ccc(C(OCCOCCCSSCCCOCCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.43
SLC6A1 P30531 2/20 0.43
KIF11 P52732 8/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
TK2 O00142 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
SCHEMBL6040158 0.90 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL13575115 0.90 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL2385290 0.90 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL2400336 0.90 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL6570212 0.87 SLC6A11 (0.47) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL2288429 0.84 NR3C2 (0.33) SLC6A1KIF11TK2
SCHEMBL12582832 0.83 KIF11 (0.42) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL8327519 0.83 KIF11 (0.42) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL16021678 0.82 KIF11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL7165376 0.82 KIF11 (0.46) SLC6A11SLC6A1KIF11KCNH2MEN1

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
WO-2011097092-A2 SOLID-SUPPORTED ETHER DISULFIDES BERRY AND ASSOCIATES, INC. (US) 2011-08-11 WO disclosed
US-20110190485-A1 SOLID-SUPPORTED ETHER DISULFIDES BERRY AND ASSOCIATES, INC. (US) 2011-08-04 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-20110190485-A1 SOLID-SUPPORTED ETHER DISULFIDES NSUN3, NSUN2, SNRPA1 SLC6A11 3021/4885SLC6A1 3312/4885KIF11 1984/4885

“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.