SCHEMBL5222572

SCHEMBL5222572

CCCCC1(CCCC)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)NC(C(=O)OC)c3ccccc3)cc2S(=O)(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
HDAC8 Q9BY41 10/20 0.35
CTSD P07339 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
NR1I3 Q14994 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
SCHEMBL5222581 1.00 SLC10A2 (0.40) SLC10A2NR1H4HDAC8CTSDNPC1
SCHEMBL5224145 0.95 NR1H4 (0.41) SLC10A2NR1H4HDAC8CTSDNPC1
SCHEMBL5224147 0.95 NR1H4 (0.41) SLC10A2NR1H4HDAC8CTSDNPC1
SCHEMBL5227007 0.91 NR1H4 (0.39) SLC10A2NR1H4CTSDNPC1RAB9A
SCHEMBL5227015 0.91 NR1H4 (0.39) SLC10A2NR1H4CTSDNPC1RAB9A
SCHEMBL5391816 0.89 NR1H4 (0.41) SLC10A2NR1H4CTSD
SCHEMBL5226995 0.89 NR1H4 (0.41) SLC10A2NR1H4CTSD
SCHEMBL5228158 0.87 SLC10A2 (0.43) SLC10A2HDAC8NPC1RAB9ANR1I3
SCHEMBL5225650 0.86 SLC10A2 (0.40) SLC10A2HDAC8NPC1RAB9ANR1I3
SCHEMBL14559683 0.84 NR1H4 (0.43) SLC10A2NR1H4CTSDNPC1RAB9A

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 1/4885NR1H4 7/4885HDAC8 2578/4885

“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.