SCHEMBL5225487

SCHEMBL5225487

CCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SLC10A2 Q12908 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
SCHEMBL14570573 0.98 NR1H4 (0.57) NR1H4KMT2AATMSLC10A2
SCHEMBL919016 0.96 NR1H4 (0.62) NR1H4KMT2AATMSLC10A2
Ammonia Solution, Strong SCHEMBL5230168 0.96 NR1H4 (0.61) NR1H4KMT2AATMSLC10A2
SCHEMBL919120 0.94 NR1H4 (0.61) NR1H4KMT2AATMSLC10A2
SCHEMBL3459109 0.93 NR1H4 (0.56) NR1H4SLC10A2
SCHEMBL1183437 0.93 NR1H4 (0.56) NR1H4SLC10A2
Ammonia Solution, Strong SCHEMBL5225513 0.92 NR1H4 (0.56) NR1H4SLC10A2
SCHEMBL5226167 0.92 NR1H4 (0.56) NR1H4SLC10A2
SCHEMBL5380443 0.91 NR1H4 (0.61) NR1H4KMT2AATMSLC10A2
SCHEMBL3851490 0.90 NR1H4 (0.55) NR1H4SLC10A2

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 7/4885KMT2A 2975/4885ATM 4389/4885

“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.