SCHEMBL5225650

SCHEMBL5225650

CCCCC1(CCCC)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)OCC)cc2S(=O)(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.40
EPHX2 P34913 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
IDH1 O75874 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL5228158 0.92 SLC10A2 (0.43) SLC10A2PSEN1PSEN2APH1BNCSTN
SCHEMBL5226066 0.86 SLC10A2 (0.44) SLC10A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5222572 0.86 SLC10A2 (0.40) SLC10A2NPC1RAB9AHDAC8NR1I3
SCHEMBL5222581 0.86 SLC10A2 (0.40) SLC10A2NPC1RAB9AHDAC8NR1I3
SCHEMBL6993004 0.85 EPHX2 (0.36) SLC10A2EPHX2PSEN1PSEN2APH1B
SCHEMBL5224147 0.85 NR1H4 (0.41) SLC10A2NPC1RAB9AKMT2AHDAC8
SCHEMBL5227244 0.83 PSEN1 (0.42) SLC10A2PSEN1PSEN2APH1BNCSTN
SCHEMBL6310002 0.77 PSEN1 (0.42) SLC10A2PSEN1PSEN2APH1BNCSTN
SCHEMBL5227007 0.76 NR1H4 (0.39) SLC10A2EPHX2NPC1RAB9AKMT2A
SCHEMBL21589717 0.74 SLC10A2 (0.41) SLC10A2NR1I3

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
EP-1345918-B1 1,5 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-7192945-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20040067933-A1 Chemical compounds ELOBIX AB (SE) 2004-04-08 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-20040067933-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 SLC10A2 1/4885EPHX2 870/4885PSEN1 1486/4885

“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.