SCHEMBL5224074

SCHEMBL5224074

CCCCC1(CCCC)CN(c2ccc(Cl)cc2)c2cc(SC)c(OCC(=O)OCC)cc2S(=O)(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
F10 P00742 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HTT P42858 1/20 0.31
SLC10A2 Q12908 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL5222558 0.91 NR1H4 (0.43) NR1H4L3MBTL1TDP1MAPTMAPK1
SCHEMBL3807196 0.89 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL23493374 0.87 NR1H4 (0.43) NR1H4ALDH1A1L3MBTL1KDM4ESLC10A2
SCHEMBL5223514 0.86 NR1H4 (0.36) NR1H4SLC10A2
SCHEMBL23375108 0.86 NR1H4 (0.49) NR1H4ALDH1A1SLC10A2MEN1KMT2A
SCHEMBL23375160 0.85 NR1H4 (0.44) NR1H4ALDH1A1MAPTMAPK1KDM4E
SCHEMBL22286469 0.84 NR1H4 (0.44) NR1H4L3MBTL1SLC10A2CYP2C19
SCHEMBL23375139 0.84 NR1H4 (0.50) NR1H4MAPK1SLC10A2CYP3A4CYP2C9
SCHEMBL3814847 0.84 NR1H4 (0.49) NR1H4SLC10A2
SCHEMBL23375119 0.83 NR1H4 (0.42) NR1H4L3MBTL1TDP1MAPTMAPK1

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 NR1H4 7/4885ALDH1A1 546/4885L3MBTL1 2907/4885

“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.